3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one

C18H23N3O3 — CID 126453365

IUPAC3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H]2c2c(C)noc2C)c(=O)n(C)c1C
InChIInChI=1S/C18H23N3O3/c1-10-9-14(17(22)20(5)12(10)3)18(23)21-8-6-7-15(21)16-11(2)19-24-13(16)4/h9,15H,6-8H2,1-5H3/t15-/m0/s1
InChIKeyFYKUOESPZGBOLI-HNNXBMFYSA-N
MW329.40 g/mol
LogP2.58
Rot. Bonds2

About 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one

3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one (PubChem CID 126453365) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
PubChem CID126453365
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
SMILESCc1cc(C(=O)N2CCC[C@H]2c2c(C)noc2C)c(=O)n(C)c1C
InChIInChI=1S/C18H23N3O3/c1-10-9-14(17(22)20(5)12(10)3)18(23)21-8-6-7-15(21)16-11(2)19-24-13(16)4/h9,15H,6-8H2,1-5H3/t15-/m0/s1
InChIKeyFYKUOESPZGBOLI-HNNXBMFYSA-N
XLogP2.58
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
The IUPAC name of 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one (CID 126453365) is 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one is Cc1cc(C(=O)N2CCC[C@H]2c2c(C)noc2C)c(=O)n(C)c1C.
What is the InChIKey of 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
The InChIKey is FYKUOESPZGBOLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10-9-14(17(22)20(5)12(10)3)18(23)21-8-6-7-15(21)16-11(2)19-24-13(16)4/h9,15H,6-8H2,1-5H3/t15-/m0/s1.
What are the key properties of 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one?
3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one is sourced from PubChem (CID 126453365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).