4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol

C15H17ClN2O2S — CID 166291837

IUPAC4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol
SMILESOC1CCC(CSc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C15H17ClN2O2S/c16-12-5-3-11(4-6-12)14-17-18-15(20-14)21-9-10-1-7-13(19)8-2-10/h3-6,10,13,19H,1-2,7-9H2
InChIKeyXRSZLDGLBBRTON-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.03
Rot. Bonds4

About 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol

4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol (PubChem CID 166291837) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol
PubChem CID166291837
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol
SMILESOC1CCC(CSc2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C15H17ClN2O2S/c16-12-5-3-11(4-6-12)14-17-18-15(20-14)21-9-10-1-7-13(19)8-2-10/h3-6,10,13,19H,1-2,7-9H2
InChIKeyXRSZLDGLBBRTON-UHFFFAOYSA-N
XLogP4.03
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-(chloromethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 54132706
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-amine
CID 39369238
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-cyclopropylacetamide
CID 55587522
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 861518
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone
CID 7907072
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1071905
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7558933
2-(4-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3164486
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 78769545
2-(4-chlorophenyl)-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30701901

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol (CID 166291837) is 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol is OC1CCC(CSc2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol?
The InChIKey is XRSZLDGLBBRTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-12-5-3-11(4-6-12)14-17-18-15(20-14)21-9-10-1-7-13(19)8-2-10/h3-6,10,13,19H,1-2,7-9H2.
What are the key properties of 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol?
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol has a molecular weight of 324.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 166291837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).