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

C13H22N2O2 — CID 79192426

IUPAC4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCC1CCCC(c2noc(CCCCO)n2)C1
InChIInChI=1S/C13H22N2O2/c1-10-5-4-6-11(9-10)13-14-12(17-15-13)7-2-3-8-16/h10-11,16H,2-9H2,1H3
InChIKeyPGLNGGNUXROHEQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds5

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

4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 79192426) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID79192426
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCC1CCCC(c2noc(CCCCO)n2)C1
InChIInChI=1S/C13H22N2O2/c1-10-5-4-6-11(9-10)13-14-12(17-15-13)7-2-3-8-16/h10-11,16H,2-9H2,1H3
InChIKeyPGLNGGNUXROHEQ-UHFFFAOYSA-N
XLogP2.68
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 79192426) is 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is CC1CCCC(c2noc(CCCCO)n2)C1.
What is the InChIKey of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is PGLNGGNUXROHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-5-4-6-11(9-10)13-14-12(17-15-13)7-2-3-8-16/h10-11,16H,2-9H2,1H3.
What are the key properties of 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 79192426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).