[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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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).