Name: Name:2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019US4
Rating: 90 (10 reviews)

2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

CAS No.:

919466-69-6

Catalog Number:

AG019US4

Molecular Formula:

C14H10N2O3S

Molecular Weight:

286.3058

Catalog Number:

AG019US4

Chemical Name:

2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

CAS Number:

919466-69-6

Molecular Formula:

C14H10N2O3S

Molecular Weight:

286.3058

MDL Number:

MFCD11857935

IUPAC Name:

2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C14H10N2O3S/c17-12(18)8-20-14-16-15-13(19-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,17,18)

InChI Key:

BZUCBECNLJAGCX-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(o1)c1ccc2c(c1)cccc2

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.305g/mol

Monoisotopic Mass:

286.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1