(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide

C17H21N3O2 — CID 97098726

IUPAC(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C17H21N3O2/c1-2-9-20-10-4-7-15(20)16(21)19-14-6-3-5-13(12-14)17-18-8-11-22-17/h3,5-6,8,11-12,15H,2,4,7,9-10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyXFENTWABLFPJPT-HNNXBMFYSA-N
MW299.37 g/mol
LogP3.15
Rot. Bonds5

About (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide

(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide (PubChem CID 97098726) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
PubChem CID97098726
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1
InChIInChI=1S/C17H21N3O2/c1-2-9-20-10-4-7-15(20)16(21)19-14-6-3-5-13(12-14)17-18-8-11-22-17/h3,5-6,8,11-12,15H,2,4,7,9-10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyXFENTWABLFPJPT-HNNXBMFYSA-N
XLogP3.15
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-1-propylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 129407602
N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide
CID 86964206
(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42515252
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825
4-(2,5-dihydropyrrol-1-yl)-N-[3-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 86803982
N-(6-oxo-1H-pyridin-3-yl)-1-propylpyrrolidine-2-carboxamide
CID 172840482
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 45213408
1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
CID 72877644
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide (CID 97098726) is (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide is CCCN1CCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1.
What is the InChIKey of (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
The InChIKey is XFENTWABLFPJPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-9-20-10-4-7-15(20)16(21)19-14-6-3-5-13(12-14)17-18-8-11-22-17/h3,5-6,8,11-12,15H,2,4,7,9-10H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide?
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97098726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).