1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one

C11H16N2O2 — CID 63346866

IUPAC1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
SMILESCCC(=O)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C11H16N2O2/c1-2-9(14)7-10-12-11(13-15-10)8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeySCTOTVLHCXNVJT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.25
Rot. Bonds4

About 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one (PubChem CID 63346866) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one.

Molecular Properties

Compound Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
PubChem CID63346866
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
SMILESCCC(=O)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C11H16N2O2/c1-2-9(14)7-10-12-11(13-15-10)8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeySCTOTVLHCXNVJT-UHFFFAOYSA-N
XLogP2.25
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-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

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-one
CID 63346911
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
CID 55202191
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65351994
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one?
The IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one (CID 63346866) is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one.
What is the SMILES notation for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one?
The canonical SMILES for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one is CCC(=O)Cc1nc(C2CCCC2)no1.
What is the InChIKey of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one?
The InChIKey is SCTOTVLHCXNVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-9(14)7-10-12-11(13-15-10)8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one?
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one has a molecular weight of 208.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one is sourced from PubChem (CID 63346866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).