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

C14H16N4O3 — CID 110114851

IUPAC6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCCc1cc(C(=O)N2CCCC2c2ccnc(=O)[nH]2)on1
InChIInChI=1S/C14H16N4O3/c1-2-9-8-12(21-17-9)13(19)18-7-3-4-11(18)10-5-6-15-14(20)16-10/h5-6,8,11H,2-4,7H2,1H3,(H,15,16,20)
InChIKeyXOAOFOAKZGSODE-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.30
Rot. Bonds3

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

6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 110114851) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID110114851
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCCc1cc(C(=O)N2CCCC2c2ccnc(=O)[nH]2)on1
InChIInChI=1S/C14H16N4O3/c1-2-9-8-12(21-17-9)13(19)18-7-3-4-11(18)10-5-6-15-14(20)16-10/h5-6,8,11H,2-4,7H2,1H3,(H,15,16,20)
InChIKeyXOAOFOAKZGSODE-UHFFFAOYSA-N
XLogP1.30
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125010340
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135963686
6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671
6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124941958
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124966215
(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114705
6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124954720
(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 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 110114851) is 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is CCc1cc(C(=O)N2CCCC2c2ccnc(=O)[nH]2)on1.
What is the InChIKey of 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is XOAOFOAKZGSODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-9-8-12(21-17-9)13(19)18-7-3-4-11(18)10-5-6-15-14(20)16-10/h5-6,8,11H,2-4,7H2,1H3,(H,15,16,20).
What are the key properties of 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 288.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110114851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).