(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H19ClN4O3 — CID 155900898

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O3/c1-3-22-15(23)8-12(16(22)11-6-4-5-7-13(11)18)17(24)19-9-14-20-10(2)21-25-14/h4-7,12,16H,3,8-9H2,1-2H3,(H,19,24)/t12-,16+/m1/s1
InChIKeyLJKAEVLRXSPXLM-WBMJQRKESA-N
MW362.82 g/mol
LogP2.26
Rot. Bonds5

About (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 155900898) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID155900898
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O3/c1-3-22-15(23)8-12(16(22)11-6-4-5-7-13(11)18)17(24)19-9-14-20-10(2)21-25-14/h4-7,12,16H,3,8-9H2,1-2H3,(H,19,24)/t12-,16+/m1/s1
InChIKeyLJKAEVLRXSPXLM-WBMJQRKESA-N
XLogP2.26
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087607
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110087483
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110087437
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602172
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 51982847
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 110087575
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
CID 110087313
(2R,3R)-2-(2-chlorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 110087342
(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163280
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110086955
1-(4-ethylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602176

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 155900898) is (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)NCc2nc(C)no2)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LJKAEVLRXSPXLM-WBMJQRKESA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-3-22-15(23)8-12(16(22)11-6-4-5-7-13(11)18)17(24)19-9-14-20-10(2)21-25-14/h4-7,12,16H,3,8-9H2,1-2H3,(H,19,24)/t12-,16+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155900898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).