4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol

C14H24N2O2 — CID 125454893

IUPAC4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
SMILESCC(C)c1noc(CC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C14H24N2O2/c1-10(2)12-15-11(18-16-12)9-14(17)7-5-13(3,4)6-8-14/h10,17H,5-9H2,1-4H3
InChIKeyWGCHZPPUVKXHEA-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.07
Rot. Bonds3

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

4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol (PubChem CID 125454893) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
PubChem CID125454893
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
SMILESCC(C)c1noc(CC2(O)CCC(C)(C)CC2)n1
InChIInChI=1S/C14H24N2O2/c1-10(2)12-15-11(18-16-12)9-14(17)7-5-13(3,4)6-8-14/h10,17H,5-9H2,1-4H3
InChIKeyWGCHZPPUVKXHEA-UHFFFAOYSA-N
XLogP3.07
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 125452997
(1S,3R,4R)-3,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 125451855
1-cyclopentyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 167750710
(1S,2S,4S)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 125454506
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-hydroxycyclohexane-1-carboxylate
CID 55539803
1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
CID 125452162
N-[(1-hydroxycyclobutyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111445129
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
N-[(1-hydroxycycloheptyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111428658
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]cyclohexan-1-ol
CID 113414322

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol (CID 125454893) is 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol is CC(C)c1noc(CC2(O)CCC(C)(C)CC2)n1.
What is the InChIKey of 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
The InChIKey is WGCHZPPUVKXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)12-15-11(18-16-12)9-14(17)7-5-13(3,4)6-8-14/h10,17H,5-9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 125454893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).