3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C14H24N2O2 — CID 55201062

IUPAC3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC1CCCC(c2noc(CC(O)C(C)C)n2)C1
InChIInChI=1S/C14H24N2O2/c1-9(2)12(17)8-13-15-14(16-18-13)11-6-4-5-10(3)7-11/h9-12,17H,4-8H2,1-3H3
InChIKeyCOWBPAPRGXCQJC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.92
Rot. Bonds4

About 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 55201062) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID55201062
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC1CCCC(c2noc(CC(O)C(C)C)n2)C1
InChIInChI=1S/C14H24N2O2/c1-9(2)12(17)8-13-15-14(16-18-13)11-6-4-5-10(3)7-11/h9-12,17H,4-8H2,1-3H3
InChIKeyCOWBPAPRGXCQJC-UHFFFAOYSA-N
XLogP2.92
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
3-hydroxy-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524192
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469
1-cyclopropyl-N-ethyl-2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63350007
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65400431
N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350541
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 55201062) is 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC1CCCC(c2noc(CC(O)C(C)C)n2)C1.
What is the InChIKey of 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is COWBPAPRGXCQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)12(17)8-13-15-14(16-18-13)11-6-4-5-10(3)7-11/h9-12,17H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 55201062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).