(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one

C14H14N2O2S — CID 7861362

IUPAC(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H14N2O2S/c17-11-8-4-5-9-12(11)19-14-16-15-13(18-14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2/t12-/m0/s1
InChIKeyIZYQIIPGRWVKBC-LBPRGKRZSA-N
MW274.34 g/mol
LogP3.34
Rot. Bonds3

About (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one

(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one (PubChem CID 7861362) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one
PubChem CID7861362
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H14N2O2S/c17-11-8-4-5-9-12(11)19-14-16-15-13(18-14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2/t12-/m0/s1
InChIKeyIZYQIIPGRWVKBC-LBPRGKRZSA-N
XLogP3.34
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7907124
(2S)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7417603
(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7562624
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cycloheptan-1-one
CID 42945292
(2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7533310
(2S)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 2415533
(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7418524
(3R,5R)-5-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
CID 40973258
2-(4,6-diphenylpyrimidin-2-yl)sulfanylcyclohexan-1-one
CID 171980879
(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one
CID 7895626
3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one
CID 42932136
(3R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 29137283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one (CID 7861362) is (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one is O=C1CCCC[C@@H]1Sc1nnc(-c2ccccc2)o1.
What is the InChIKey of (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one?
The InChIKey is IZYQIIPGRWVKBC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-11-8-4-5-9-12(11)19-14-16-15-13(18-14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one?
(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one has a molecular weight of 274.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one is sourced from PubChem (CID 7861362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).