4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one

C14H16N4O3 — CID 136816538

IUPAC4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(C(=O)N2CCCC2c2nc(C)cc(=O)[nH]2)on1
InChIInChI=1S/C14H16N4O3/c1-8-7-12(19)16-13(15-8)10-4-3-5-18(10)14(20)11-6-9(2)17-21-11/h6-7,10H,3-5H2,1-2H3,(H,15,16,19)
InChIKeyBKZBUAKVFSWULU-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.35
Rot. Bonds2

About 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136816538) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136816538
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(C(=O)N2CCCC2c2nc(C)cc(=O)[nH]2)on1
InChIInChI=1S/C14H16N4O3/c1-8-7-12(19)16-13(15-8)10-4-3-5-18(10)14(20)11-6-9(2)17-21-11/h6-7,10H,3-5H2,1-2H3,(H,15,16,19)
InChIKeyBKZBUAKVFSWULU-UHFFFAOYSA-N
XLogP1.35
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 136816538) is 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is Cc1cc(C(=O)N2CCCC2c2nc(C)cc(=O)[nH]2)on1.
What is the InChIKey of 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is BKZBUAKVFSWULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-7-12(19)16-13(15-8)10-4-3-5-18(10)14(20)11-6-9(2)17-21-11/h6-7,10H,3-5H2,1-2H3,(H,15,16,19).
What are the key properties of 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 288.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136816538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).