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

C14H13ClN2O2S — CID 7907124

IUPAC(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H13ClN2O2S/c15-10-7-5-9(6-8-10)13-16-17-14(19-13)20-12-4-2-1-3-11(12)18/h5-8,12H,1-4H2/t12-/m1/s1
InChIKeyNOPQICWXPQZZBO-GFCCVEGCSA-N
MW308.79 g/mol
LogP3.99
Rot. Bonds3

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

(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one (PubChem CID 7907124) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
PubChem CID7907124
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H13ClN2O2S/c15-10-7-5-9(6-8-10)13-16-17-14(19-13)20-12-4-2-1-3-11(12)18/h5-8,12H,1-4H2/t12-/m1/s1
InChIKeyNOPQICWXPQZZBO-GFCCVEGCSA-N
XLogP3.99
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one with MolForge

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Related Compounds

(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-one
CID 7861362
(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7562624
(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-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7417603
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cycloheptan-1-one
CID 42945292
(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7418524
(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 51983842
3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one
CID 42932136
1-(4-chlorobenzoyl)-3-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one
CID 24650046
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one
CID 43055115
(3R)-1-(4-chlorobenzoyl)-3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]azepan-2-one
CID 41146670

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one (CID 7907124) is (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one is O=C1CCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one?
The InChIKey is NOPQICWXPQZZBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-10-7-5-9(6-8-10)13-16-17-14(19-13)20-12-4-2-1-3-11(12)18/h5-8,12H,1-4H2/t12-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one?
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one has a molecular weight of 308.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one is sourced from PubChem (CID 7907124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).