(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone

C17H14N2O2S — CID 40951262

IUPAC(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone
SMILESCc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H14N2O2S/c1-12-18-19-17(21-12)22-16(14-10-6-3-7-11-14)15(20)13-8-4-2-5-9-13/h2-11,16H,1H3/t16-/m0/s1
InChIKeyOSLJDAGKQZHGPG-INIZCTEOSA-N
MW310.38 g/mol
LogP4.09
Rot. Bonds5

About (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone

(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone (PubChem CID 40951262) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone
PubChem CID40951262
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone
SMILESCc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H14N2O2S/c1-12-18-19-17(21-12)22-16(14-10-6-3-7-11-14)15(20)13-8-4-2-5-9-13/h2-11,16H,1H3/t16-/m0/s1
InChIKeyOSLJDAGKQZHGPG-INIZCTEOSA-N
XLogP4.09
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone with MolForge

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Related Compounds

(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-diphenylethanone
CID 7794338
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 63099998
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 40647144
4-amino-6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-1,2,4-triazin-5-one
CID 4240896
ethyl 2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 4215757
4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
CID 135585315
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 4825081
ethyl (2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetate
CID 7661122
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 5177649
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
CID 2797592
(2S)-2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone
CID 51967982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone?
The IUPAC name of (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone (CID 40951262) is (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone.
What is the SMILES notation for (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone?
The canonical SMILES for (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone is Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)o1.
What is the InChIKey of (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone?
The InChIKey is OSLJDAGKQZHGPG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-12-18-19-17(21-12)22-16(14-10-6-3-7-11-14)15(20)13-8-4-2-5-9-13/h2-11,16H,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone?
(2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone has a molecular weight of 310.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,2-diphenylethanone is sourced from PubChem (CID 40951262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).