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

C12H20N2O2 — CID 79201365

IUPAC3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCC1CCCC(c2noc(CCCO)n2)C1
InChIInChI=1S/C12H20N2O2/c1-9-4-2-5-10(8-9)12-13-11(16-14-12)6-3-7-15/h9-10,15H,2-8H2,1H3
InChIKeyCRFCQCZIHUOPCS-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.29
Rot. Bonds4

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

3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79201365) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79201365
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCC1CCCC(c2noc(CCCO)n2)C1
InChIInChI=1S/C12H20N2O2/c1-9-4-2-5-10(8-9)12-13-11(16-14-12)6-3-7-15/h9-10,15H,2-8H2,1H3
InChIKeyCRFCQCZIHUOPCS-UHFFFAOYSA-N
XLogP2.29
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350541
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192880
3-hydroxy-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524192
1-cyclopropyl-N-ethyl-2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63350007
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
3-(3-methylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 55057928
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482937
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107924677

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79201365) is 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CC1CCCC(c2noc(CCCO)n2)C1.
What is the InChIKey of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is CRFCQCZIHUOPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-4-2-5-10(8-9)12-13-11(16-14-12)6-3-7-15/h9-10,15H,2-8H2,1H3.
What are the key properties of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79201365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).