AG002BQF

198821-22-6 | Carbamic acid, N-[[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl ester

AG002BQF

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CAS Number	198821-22-6
Catalog Number	AG002BQF(AGN-PC-0QQ5YQ)
Chemical Name	Carbamic acid, N-[[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl ester
IUPAC Name	[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
InChI	InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
InChI Key	JBPUGFODGPKTDW-SFHVURJKSA-N
MDL Number	MFCD09837807
Molecular Formula	C23H24N4O6
Molecular Weight	452.4599
SMILES	COC=1C=C(C=CC1C1=CN=CO1)NC(=O)NC=1C=C(C=CC1)CNC(O[C@@H]1COCC1)=O
UNII	2ZL2BA06FU
Synonyms	Merimepodib, N-3-(3-(3-methoxy-4-oxazol-5-ylphenyl)ureido)benzylcarbamic acid tetrahydrofuran-3-yl ester, VX 497, VX-497, Merimepodib, 198821-22-6, VX-497, UNII-2ZL2BA06FU, 2ZL2BA06FU, VI-21497, CHEMBL304087, [(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate, MERIMEPODIB, VI-21497, VX-497, C23H24N4O6, (S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol-5-yl)phenyl)ureido)benzylcarbamate, MMPD, Vx 497, Merimepodib [USAN:INN], Merimebodib, VX497, Carbamic acid, ((3-((((3-methoxy-4-(5-oxazolyl)phenyl)amino)carbonyl)amino)phenyl)methyl)-, (3S)-tetrahydro-3-furanyl ester, carbamic acid, [[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl ester, Merimepodib (USAN/INN), AC1L49YV, SCHEMBL329922, CTK0H7894, KS-00000LDT, DTXSID70173639, JBPUGFODGPKTDW-SFHVURJKSA-N, vi-21497, vx-497, BCP28336, EX-A1201, ZINC3975663, 3810AH, BDBM50102249, FD5020, MFCD09837807, AKOS027338219, CS-2105, DB04862, N-3-(3-(3-Methoxy-4-oxazol-5-ylphenyl)ureido)benzylcarbamic acid tetrahydrofuran-3-yl ester, NCGC00378589-01, 4CA-1337, HY-13986, VI-21,497, D04936, (S)-Tetrahydro-3-furyl (m-(3-(3-methoxy-4-(5-oxazolyl)phenyl)ureido)benzyl)carbamate, [(3S)-Oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamat, [(3S)-tetrahydrofuran-3-yl] N-[[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]methyl]carbamate, {3-[3-(3-Methoxy-4-oxazol-5-yl-phenyl)-ureido]-benzyl}-carbamic acid (S)-(tetrahydro-furan-3-yl) ester, {3-[3-(3-Methoxy-4-oxazol-5-yl-phenyl)-ureido]-benzyl}-carbamic acid tetrahydro-furan-3-yl ester, Carbamic acid, N-[[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl ester, N-[3-3-[3-Methoxy-4-(5-oxazolyl)phenyl]ureido]benzyl]carbamic acid tetrahydrofuran-3-(S)-yl ester, Vertex, Tyverb/Tykerb, D0F0ZE, D0T0GJ, CID153241, C23-H24-N4-O6, B1112, C407002, MMP,

Complexity	652
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	452.17g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	452.467g/mol
Monoisotopic Mass	452.17g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number