2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one

C15H24N2O2 — CID 80610154

IUPAC2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
SMILESCCC(=O)C(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C15H24N2O2/c1-3-13(18)11(2)15-16-14(17-19-15)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3
InChIKeyVHGMMPXEDFCAHA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one (PubChem CID 80610154) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
PubChem CID80610154
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
SMILESCCC(=O)C(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C15H24N2O2/c1-3-13(18)11(2)15-16-14(17-19-15)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3
InChIKeyVHGMMPXEDFCAHA-UHFFFAOYSA-N
XLogP3.98
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561054
2-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65412634
2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65406251
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500634
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65144228
ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate
CID 79481205
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 62854721
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 79088934
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
The IUPAC name of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one (CID 80610154) is 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one.
What is the SMILES notation for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
The canonical SMILES for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one is CCC(=O)C(C)c1nc(C2CCCCCCC2)no1.
What is the InChIKey of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
The InChIKey is VHGMMPXEDFCAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-13(18)11(2)15-16-14(17-19-15)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one?
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one has a molecular weight of 264.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one is sourced from PubChem (CID 80610154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).