2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one

C15H24N2O3 — CID 116780274

IUPAC2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
SMILESCCC(CC)(OC)c1noc(C2CCCCCC2=O)n1
InChIInChI=1S/C15H24N2O3/c1-4-15(5-2,19-3)14-16-13(20-17-14)11-9-7-6-8-10-12(11)18/h11H,4-10H2,1-3H3
InChIKeyIGEVNQCAXVOJLJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.35
Rot. Bonds5

About 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one

2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one (PubChem CID 116780274) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
PubChem CID116780274
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
SMILESCCC(CC)(OC)c1noc(C2CCCCCC2=O)n1
InChIInChI=1S/C15H24N2O3/c1-4-15(5-2,19-3)14-16-13(20-17-14)11-9-7-6-8-10-12(11)18/h11H,4-10H2,1-3H3
InChIKeyIGEVNQCAXVOJLJ-UHFFFAOYSA-N
XLogP3.35
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-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-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732745
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116732734
4-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780269
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732527
2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116808740
3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116741192
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 116781114
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 104611970
2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63344281
2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 65141405
2-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 114282134
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780395

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The IUPAC name of 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one (CID 116780274) is 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one.
What is the SMILES notation for 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The canonical SMILES for 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one is CCC(CC)(OC)c1noc(C2CCCCCC2=O)n1.
What is the InChIKey of 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The InChIKey is IGEVNQCAXVOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-15(5-2,19-3)14-16-13(20-17-14)11-9-7-6-8-10-12(11)18/h11H,4-10H2,1-3H3.
What are the key properties of 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one is sourced from PubChem (CID 116780274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).