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

C15H26N2O2 — CID 79192299

IUPAC4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCCC1CCC(c2noc(CCCCO)n2)CC1
InChIInChI=1S/C15H26N2O2/c1-2-5-12-7-9-13(10-8-12)15-16-14(19-17-15)6-3-4-11-18/h12-13,18H,2-11H2,1H3
InChIKeyCOHHEINDJYTMFH-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.46
Rot. Bonds7

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

4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 79192299) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID79192299
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCCC1CCC(c2noc(CCCCO)n2)CC1
InChIInChI=1S/C15H26N2O2/c1-2-5-12-7-9-13(10-8-12)15-16-14(19-17-15)6-3-4-11-18/h12-13,18H,2-11H2,1H3
InChIKeyCOHHEINDJYTMFH-UHFFFAOYSA-N
XLogP3.46
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.46
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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Related Compounds

3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192880
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
N-ethyl-4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65400186
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273260
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 79192299) is 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is CCCC1CCC(c2noc(CCCCO)n2)CC1.
What is the InChIKey of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is COHHEINDJYTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-5-12-7-9-13(10-8-12)15-16-14(19-17-15)6-3-4-11-18/h12-13,18H,2-11H2,1H3.
What are the key properties of 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 79192299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).