2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide

C20H19ClN4O2 — CID 5009552

IUPAC2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2c2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-5-2-8-16(11-13)22-20(26)25-10-4-9-17(25)19-23-18(24-27-19)14-6-3-7-15(21)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,22,26)
InChIKeyGJIHIWNOAVTARW-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.07
Rot. Bonds3

About 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 5009552) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID5009552
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2c2nc(-c3cccc(Cl)c3)no2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-5-2-8-16(11-13)22-20(26)25-10-4-9-17(25)19-23-18(24-27-19)14-6-3-7-15(21)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,22,26)
InChIKeyGJIHIWNOAVTARW-UHFFFAOYSA-N
XLogP5.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 95057715
(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7288640
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7262323
N-(3,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 42765379
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 7231950
(2S)-N-(3,4-dimethylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7271519
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 5001867
N-(3-chloro-4-fluorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4637876
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 5009552) is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC2c2nc(-c3cccc(Cl)c3)no2)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is GJIHIWNOAVTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-5-2-8-16(11-13)22-20(26)25-10-4-9-17(25)19-23-18(24-27-19)14-6-3-7-15(21)12-14/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,22,26).
What are the key properties of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 5009552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).