1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol

C14H24N2O2 — CID 104704309

IUPAC1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCC(O)c1noc(C2CCCCCCC2)n1
InChIInChI=1S/C14H24N2O2/c1-2-8-12(17)13-15-14(18-16-13)11-9-6-4-3-5-7-10-11/h11-12,17H,2-10H2,1H3
InChIKeyRISQBTODEFNRHD-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.73
Rot. Bonds4

About 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol

1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol (PubChem CID 104704309) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
PubChem CID104704309
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCC(O)c1noc(C2CCCCCCC2)n1
InChIInChI=1S/C14H24N2O2/c1-2-8-12(17)13-15-14(18-16-13)11-9-6-4-3-5-7-10-11/h11-12,17H,2-10H2,1H3
InChIKeyRISQBTODEFNRHD-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-chlorobutyl)-5-cycloheptyl-1,2,4-oxadiazole
CID 103095789
1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096510
1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 107179971
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096126
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
1-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096109
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612
(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-cyclopropylmethanamine
CID 62589285
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103095705
[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963886

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The IUPAC name of 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol (CID 104704309) is 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol.
What is the SMILES notation for 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The canonical SMILES for 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol is CCCC(O)c1noc(C2CCCCCCC2)n1.
What is the InChIKey of 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The InChIKey is RISQBTODEFNRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-8-12(17)13-15-14(18-16-13)11-9-6-4-3-5-7-10-11/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol is sourced from PubChem (CID 104704309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).