1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

C12H18N2O2 — CID 95051971

IUPAC1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cc(C(C)C)on1
InChIInChI=1S/C12H18N2O2/c1-8(2)12-7-10(13-16-12)11-5-4-6-14(11)9(3)15/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyJSTLZFNNMSCVON-NSHDSACASA-N
MW222.29 g/mol
LogP2.48
Rot. Bonds2

About 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95051971) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID95051971
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cc(C(C)C)on1
InChIInChI=1S/C12H18N2O2/c1-8(2)12-7-10(13-16-12)11-5-4-6-14(11)9(3)15/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyJSTLZFNNMSCVON-NSHDSACASA-N
XLogP2.48
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070287
(4-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586683
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701
(2-fluorophenyl)-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731704
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
(3-methylphenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95052029
N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001088
(2-methyl-1,3-thiazol-4-yl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95136623
(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586684
N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946822
(2S)-N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070350
[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 91782819

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (CID 95051971) is 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1c1cc(C(C)C)on1.
What is the InChIKey of 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is JSTLZFNNMSCVON-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)12-7-10(13-16-12)11-5-4-6-14(11)9(3)15/h7-8,11H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 222.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95051971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).