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

C15H18N4O3 — CID 135963671

IUPAC4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cc(C)no2)n1
InChIInChI=1S/C15H18N4O3/c1-3-10-8-13(20)17-14(16-10)11-5-4-6-19(11)15(21)12-7-9(2)18-22-12/h7-8,11H,3-6H2,1-2H3,(H,16,17,20)/t11-/m1/s1
InChIKeyZDZXLBKCRBJOJJ-LLVKDONJSA-N
MW302.33 g/mol
LogP1.61
Rot. Bonds3

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

4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 135963671) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID135963671
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cc(C)no2)n1
InChIInChI=1S/C15H18N4O3/c1-3-10-8-13(20)17-14(16-10)11-5-4-6-19(11)15(21)12-7-9(2)18-22-12/h7-8,11H,3-6H2,1-2H3,(H,16,17,20)/t11-/m1/s1
InChIKeyZDZXLBKCRBJOJJ-LLVKDONJSA-N
XLogP1.61
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-[(2R)-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

Related Compounds

2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135963686
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 135963675
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
3-[3-[(2S)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 135963664
(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56686247
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907
2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860375
4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136860377
(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247377

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 135963671) is 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cc(C)no2)n1.
What is the InChIKey of 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is ZDZXLBKCRBJOJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-10-8-13(20)17-14(16-10)11-5-4-6-19(11)15(21)12-7-9(2)18-22-12/h7-8,11H,3-6H2,1-2H3,(H,16,17,20)/t11-/m1/s1.
What are the key properties of 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 302.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135963671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).