| CAS Number | 919466-69-6 |
| Catalog Number | AG019US4 |
| Chemical Name | 2-([5-(Naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl)acetic acid |
| 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 |
| MDL Number | MFCD11857935 |
| Molecular Formula | C14H10N2O3S |
| Molecular Weight | 286.3058 |
| SMILES | OC(CSC1OC(C2=CC3=C(C=CC=C3)C=C2)=NN=1)=O |
| Synonyms | 2-{[5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid,
919466-69-6,
AC1Q76DD,
CTK7J5840,
ZINC8362737,
AKOS008119674,
MCULE-5722512312,
NE15316,
EN300-42659,
CID9484326,
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic Acid,
2-([5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl)acetic acid,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.305g/mol |
| Monoisotopic Mass | 286.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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