(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide

C17H20ClN3O2 — CID 46843430

IUPAC(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H20ClN3O2/c1-2-4-13-11-16(23-20-13)19-17(22)15-5-3-10-21(15)14-8-6-12(18)7-9-14/h6-9,11,15H,2-5,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyGANCJGWVYORWED-HNNXBMFYSA-N
MW333.82 g/mol
LogP3.89
Rot. Bonds5

About (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide

(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 46843430) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID46843430
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)on1
InChIInChI=1S/C17H20ClN3O2/c1-2-4-13-11-16(23-20-13)19-17(22)15-5-3-10-21(15)14-8-6-12(18)7-9-14/h6-9,11,15H,2-5,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyGANCJGWVYORWED-HNNXBMFYSA-N
XLogP3.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46844062
1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 77437927
(2S)-1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 46844065
(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide
CID 46843504
2-chloro-1-[(2R)-1-(4-chlorophenyl)pyrrolidin-2-yl]ethanone
CID 162743616
1-(4-chlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 75218836
(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 88530997
(2S)-1-(4-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46843133
N-(1-acetylpiperidin-4-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 75218553
(2S)-N-benzyl-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 90115301
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
(2S)-N-(4-tert-butylcyclohexyl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 46844122

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide (CID 46843430) is (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide is CCCc1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)on1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is GANCJGWVYORWED-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-4-13-11-16(23-20-13)19-17(22)15-5-3-10-21(15)14-8-6-12(18)7-9-14/h6-9,11,15H,2-5,10H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide?
(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46843430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).