AG00AE70

151670-69-8 | 2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine

AG00AE70

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CAS Number	151670-69-8
Catalog Number	AG00AE70(AGN-PC-0O4BH2)
Chemical Name	2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine
IUPAC Name	(4S)-4-benzyl-2-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI	InChI=1S/C25H23N3O2/c1-3-8-18(9-4-1)14-20-16-29-24(26-20)22-12-7-13-23(28-22)25-27-21(17-30-25)15-19-10-5-2-6-11-19/h1-13,20-21H,14-17H2/t20-,21-/m0/s1
InChI Key	ZBONTXCYJLVGLR-SFTDATJTSA-N
MDL Number	MFCD23704921
Molecular Formula	C25H23N3O2
Molecular Weight	397.4690
SMILES	C1(C2=N[C@@H](CC3=CC=CC=C3)CO2)=NC(C4=N[C@@H](CC5=CC=CC=C5)CO4)=CC=C1
Synonyms	2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine, 151670-69-8, Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-, SCHEMBL14154786, CTK0E8318, MFCD23704921, ZINC39351707, AJ-99986, CS-0064046, 2,6-Bis[(4S)-4-benzyl-2-oxazoline-2-yl]pyridine, 2,6-Bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)pyridine, 2,6-Bis[(4S)-benzyl-2-oxazolin-2-yl]pyridine, 98% - 100MG 100mg,

Complexity	570
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	397.179g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	397.478g/mol
Monoisotopic Mass	397.179g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	56.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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