AG00BDSK

256414-75-2 | 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

AG00BDSK

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CAS Number	256414-75-2
Catalog Number	AG00BDSK(AGN-PC-0R1FQV)
Chemical Name	5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
IUPAC Name	5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
InChI	InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
InChI Key	OYMNPJXKQVTQTR-UHFFFAOYSA-N
MDL Number	MFCD00096600
Molecular Formula	C20H10F6N2OS
Molecular Weight	440.3616
SMILES	FC(C1=CC(C2=NOC(C3=CC(C4=CC=CC=C4)=C(C(F)(F)F)S3)=N2)=CC=C1)(F)F
Synonyms	SEW-2871, SEW2871, SEW2871, 256414-75-2, SEW 2871, 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, SEW-2871, 5-(4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole, CHEMBL224720, S1P1 Receptor Agonist, SEW2871, MFCD00096600, Sphingosine-1-Phosphate1 Receptor S1P1 Agonist, 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, 5-(4-Phenyl-5-trifluoromethylthiophen-2-yl)-3-(3-trifluoromethylphenyl)-(1,2,4)-oxadiazole, AC1N2UY4, SCHEMBL436150, C20H10F6N2OS, GTPL2926, CHEBI:92283, CTK7B7082, DTXSID80399085, HMS3268H16, HMS3649L06, HMS3677C06, ZINC2141876, 1445AH, BDBM50158345, BS0178, IN1083, AKOS015853139, AN-5811, API0008462, MCULE-6471887459, RTC-030230, TRA0003711, NCGC00092356-01, NCGC00092356-02, ACM256414752, AJ-33564, AK-34387, CC-21023, CJ-32923, SEW2871, >=98% (HPLC), solid, DB-006928, TC-030230, B7001, FT-0080687, FT-0602670, C-27359, SR-01000695417, J-016085, SR-01000695417-1, SR-01000695417-2, BRD-K15601958-001-01-3, BRD-K15601958-001-02-1, I14-58432, 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl) phenyl]-1,2,4-oxadiazole, 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]- 1,2,4-oxadiazole, 5-[4-PHENYL-5-(TRIFLUOROMETHYL)THIEN-2-YL]-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE, 5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]1,2,4-oxadiazole, nchembio804-comp3, D0ZU0O, OYMNPJXKQVTQTR-UHFFFAOYSA-N, CID4077460, C503964,

Complexity	583
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	440.042g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	440.363g/mol
Monoisotopic Mass	440.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300
Packing Group	Ⅲ
Precautionary statements	P264-P301+P310
UN Code	UN 2811

Certificate of Analysis

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