3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one

C12H15N3O2 — CID 115637804

IUPAC3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCc1cccn(Cc2nc(C(C)C)no2)c1=O
InChIInChI=1S/C12H15N3O2/c1-8(2)11-13-10(17-14-11)7-15-6-4-5-9(3)12(15)16/h4-6,8H,7H2,1-3H3
InChIKeyOCRUAFKNSYJPRQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.71
Rot. Bonds3

About 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one

3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (PubChem CID 115637804) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
PubChem CID115637804
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCc1cccn(Cc2nc(C(C)C)no2)c1=O
InChIInChI=1S/C12H15N3O2/c1-8(2)11-13-10(17-14-11)7-15-6-4-5-9(3)12(15)16/h4-6,8H,7H2,1-3H3
InChIKeyOCRUAFKNSYJPRQ-UHFFFAOYSA-N
XLogP1.71
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-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

5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 115616737
5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 103475272
7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 78961293
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde
CID 102911290
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112724026
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66399089
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 114761369
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595538
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
CID 79106524
3-methyl-1-(3-methylbutyl)pyridin-2-one
CID 59562300

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (CID 115637804) is 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is Cc1cccn(Cc2nc(C(C)C)no2)c1=O.
What is the InChIKey of 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The InChIKey is OCRUAFKNSYJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(2)11-13-10(17-14-11)7-15-6-4-5-9(3)12(15)16/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is sourced from PubChem (CID 115637804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).