5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one

C20H20N4O3 — CID 70738062

IUPAC5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2ncc(C(=O)N3CCCC3c3cc(C)no3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O3/c1-12-5-7-14(8-6-12)18-21-11-15(19(25)22-18)20(26)24-9-3-4-16(24)17-10-13(2)23-27-17/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,21,22,25)
InChIKeyAHLFWLQZJNNAOA-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.02
Rot. Bonds3

About 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one

5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 70738062) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID70738062
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2ncc(C(=O)N3CCCC3c3cc(C)no3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O3/c1-12-5-7-14(8-6-12)18-21-11-15(19(25)22-18)20(26)24-9-3-4-16(24)17-10-13(2)23-27-17/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,21,22,25)
InChIKeyAHLFWLQZJNNAOA-UHFFFAOYSA-N
XLogP3.02
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-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

Related Compounds

5-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 97134913
(2,3-dichloro-4-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 126840478
(4-amino-1H-pyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 55178599
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 92554001
(3,6-dimethyl-1-benzofuran-2-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 97116953
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739463
5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 126437388
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one (CID 70738062) is 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2ncc(C(=O)N3CCCC3c3cc(C)no3)c(=O)[nH]2)cc1.
What is the InChIKey of 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is AHLFWLQZJNNAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-5-7-14(8-6-12)18-21-11-15(19(25)22-18)20(26)24-9-3-4-16(24)17-10-13(2)23-27-17/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,21,22,25).
What are the key properties of 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one?
5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 364.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70738062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).