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

C16H26N2O2 — CID 65391078

IUPAC4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCC1(C)CCC(c2noc(C3CCC(O)CC3)n2)CC1
InChIInChI=1S/C16H26N2O2/c1-16(2)9-7-11(8-10-16)14-17-15(20-18-14)12-3-5-13(19)6-4-12/h11-13,19H,3-10H2,1-2H3
InChIKeyCATIYLOMYBCTIN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.77
Rot. Bonds2

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

4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 65391078) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID65391078
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCC1(C)CCC(c2noc(C3CCC(O)CC3)n2)CC1
InChIInChI=1S/C16H26N2O2/c1-16(2)9-7-11(8-10-16)14-17-15(20-18-14)12-3-5-13(19)6-4-12/h11-13,19H,3-10H2,1-2H3
InChIKeyCATIYLOMYBCTIN-UHFFFAOYSA-N
XLogP3.77
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65328340
2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65390483
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905089
3-(4,4-dimethylcyclohexyl)-5-ethenyl-1,2,4-oxadiazole
CID 65389570
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65392070
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65391274
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
bis(3-cyclopropyl-5-(1-methylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole);oxalate
CID 23047505

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 65391078) is 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is CC1(C)CCC(c2noc(C3CCC(O)CC3)n2)CC1.
What is the InChIKey of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is CATIYLOMYBCTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2)9-7-11(8-10-16)14-17-15(20-18-14)12-3-5-13(19)6-4-12/h11-13,19H,3-10H2,1-2H3.
What are the key properties of 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 65391078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).