2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol

C16H20N2O2S — CID 110883458

IUPAC2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(-c2nnc(SC3CCCCC3O)o2)c1
InChIInChI=1S/C16H20N2O2S/c1-10-7-11(2)9-12(8-10)15-17-18-16(20-15)21-14-6-4-3-5-13(14)19/h7-9,13-14,19H,3-6H2,1-2H3
InChIKeyHUDBJSCVSHJYCK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.75
Rot. Bonds3

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

2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol (PubChem CID 110883458) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
PubChem CID110883458
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(-c2nnc(SC3CCCCC3O)o2)c1
InChIInChI=1S/C16H20N2O2S/c1-10-7-11(2)9-12(8-10)15-17-18-16(20-15)21-14-6-4-3-5-13(14)19/h7-9,13-14,19H,3-6H2,1-2H3
InChIKeyHUDBJSCVSHJYCK-UHFFFAOYSA-N
XLogP3.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol
CID 102732798
N-cyclohexyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 43029367
(2S)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7562531
N-(cyclohexylcarbamoyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562453
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol
CID 110883448
(2S)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7417603
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 859583
methyl 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859580
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 106923607
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7801673
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 43029359

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
The IUPAC name of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol (CID 110883458) is 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol is Cc1cc(C)cc(-c2nnc(SC3CCCCC3O)o2)c1.
What is the InChIKey of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
The InChIKey is HUDBJSCVSHJYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-7-11(2)9-12(8-10)15-17-18-16(20-15)21-14-6-4-3-5-13(14)19/h7-9,13-14,19H,3-6H2,1-2H3.
What are the key properties of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol?
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol has a molecular weight of 304.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 110883458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).