[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

C16H20N2O2S — CID 65143990

IUPAC[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(CSC2CCCCC2)no1
InChIInChI=1S/C16H20N2O2S/c19-15(12-7-3-1-4-8-12)16-17-14(18-20-16)11-21-13-9-5-2-6-10-13/h1,3-4,7-8,13,15,19H,2,5-6,9-11H2
InChIKeyNOROKHQKVRSDIE-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.72
Rot. Bonds5

About [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol

[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (PubChem CID 65143990) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
PubChem CID65143990
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(CSC2CCCCC2)no1
InChIInChI=1S/C16H20N2O2S/c19-15(12-7-3-1-4-8-12)16-17-14(18-20-16)11-21-13-9-5-2-6-10-13/h1,3-4,7-8,13,15,19H,2,5-6,9-11H2
InChIKeyNOROKHQKVRSDIE-UHFFFAOYSA-N
XLogP3.72
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Fluorophenyl)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
CID 134909380
(3-Methyl-1,2,4-oxadiazol-5-yl)(phenyl)methanol
CID 63851603
1-[3-(Phenylmethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 121588210
(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol
CID 171048505
Phenyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 63844917
[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63845064
[3-[(2-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63845092
[3-(3,5-Difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63845104
[3-(4-Fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63845574
[3-(5-Fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846109
[3-[(3-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
[3-(3,4-Difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63850605

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol (CID 65143990) is [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is OC(c1ccccc1)c1nc(CSC2CCCCC2)no1.
What is the InChIKey of [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
The InChIKey is NOROKHQKVRSDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15(12-7-3-1-4-8-12)16-17-14(18-20-16)11-21-13-9-5-2-6-10-13/h1,3-4,7-8,13,15,19H,2,5-6,9-11H2.
What are the key properties of [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol?
[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol has a molecular weight of 304.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol is sourced from PubChem (CID 65143990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).