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

C12H14N4O2 — CID 63344584

IUPAC4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCC(=O)C(c1nc(-c2ncccn2)no1)C(C)C
InChIInChI=1S/C12H14N4O2/c1-7(2)9(8(3)17)12-15-11(16-18-12)10-13-5-4-6-14-10/h4-7,9H,1-3H3
InChIKeyDHFCIYBKXKGSFN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.86
Rot. Bonds4

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

4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one (PubChem CID 63344584) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
PubChem CID63344584
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
SMILESCC(=O)C(c1nc(-c2ncccn2)no1)C(C)C
InChIInChI=1S/C12H14N4O2/c1-7(2)9(8(3)17)12-15-11(16-18-12)10-13-5-4-6-14-10/h4-7,9H,1-3H3
InChIKeyDHFCIYBKXKGSFN-UHFFFAOYSA-N
XLogP1.86
TPSA81.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-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

ethyl 3-methyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 79475145
3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 79780846
4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346626
4-methyl-3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 106849937
4-methyl-3-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344972
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 82903373
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 63344241
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 63344244
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 103084052
4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344414
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116808735
4-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345426

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The IUPAC name of 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one (CID 63344584) is 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The canonical SMILES for 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one is CC(=O)C(c1nc(-c2ncccn2)no1)C(C)C.
What is the InChIKey of 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
The InChIKey is DHFCIYBKXKGSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7(2)9(8(3)17)12-15-11(16-18-12)10-13-5-4-6-14-10/h4-7,9H,1-3H3.
What are the key properties of 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one?
4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-one is sourced from PubChem (CID 63344584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).