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

C15H17FN4O3 — CID 135963686

IUPAC2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[nH]2)on1
InChIInChI=1S/C15H17FN4O3/c1-3-9-7-11(23-19-9)15(22)20-6-4-5-10(20)13-17-8(2)12(16)14(21)18-13/h7,10H,3-6H2,1-2H3,(H,17,18,21)/t10-/m1/s1
InChIKeyMQWFDQINBJQBBO-SNVBAGLBSA-N
MW320.32 g/mol
LogP1.75
Rot. Bonds3

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

2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 135963686) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID135963686
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[nH]2)on1
InChIInChI=1S/C15H17FN4O3/c1-3-9-7-11(23-19-9)15(22)20-6-4-5-10(20)13-17-8(2)12(16)14(21)18-13/h7,10H,3-6H2,1-2H3,(H,17,18,21)/t10-/m1/s1
InChIKeyMQWFDQINBJQBBO-SNVBAGLBSA-N
XLogP1.75
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247377
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907
2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136734978
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125010340
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70737169
5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136734982
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972211
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630007

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 135963686) is 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(F)c(=O)[nH]2)on1.
What is the InChIKey of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MQWFDQINBJQBBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-3-9-7-11(23-19-9)15(22)20-6-4-5-10(20)13-17-8(2)12(16)14(21)18-13/h7,10H,3-6H2,1-2H3,(H,17,18,21)/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 320.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135963686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).