2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

C19H26N4O4 — CID 136734978

IUPAC2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)on1
InChIInChI=1S/C19H26N4O4/c1-4-14-12(3)20-18(21-19(14)25)15-7-6-10-23(15)17(24)9-8-13-11-16(22-27-13)26-5-2/h11,15H,4-10H2,1-3H3,(H,20,21,25)/t15-/m0/s1
InChIKeyHWBLUFNKVHKMEZ-HNNXBMFYSA-N
MW374.44 g/mol
LogP2.32
Rot. Bonds7

About 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136734978) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136734978
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)on1
InChIInChI=1S/C19H26N4O4/c1-4-14-12(3)20-18(21-19(14)25)15-7-6-10-23(15)17(24)9-8-13-11-16(22-27-13)26-5-2/h11,15H,4-10H2,1-3H3,(H,20,21,25)/t15-/m0/s1
InChIKeyHWBLUFNKVHKMEZ-HNNXBMFYSA-N
XLogP2.32
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216072
2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 135963347
5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136734982
1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110219169
3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 110245858
(3R)-3-[2-[(2R)-2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 135963627
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135963686
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124962035
5-[3-[2-(5-ethylfuran-2-yl)azepan-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136527257
2-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135963652
2-(dimethylamino)-4-[(3S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821125

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 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) is 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCOc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)c(CC)c(=O)[nH]2)on1.
What is the InChIKey of 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HWBLUFNKVHKMEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-14-12(3)20-18(21-19(14)25)15-7-6-10-23(15)17(24)9-8-13-11-16(22-27-13)26-5-2/h11,15H,4-10H2,1-3H3,(H,20,21,25)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 374.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136734978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).