2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide

C21H21BrN4O2 — CID 42765361

IUPAC2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC1c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C21H21BrN4O2/c1-13-5-3-6-14(2)18(13)23-21(27)26-12-4-7-17(26)20-24-19(25-28-20)15-8-10-16(22)11-9-15/h3,5-6,8-11,17H,4,7,12H2,1-2H3,(H,23,27)
InChIKeyHPKAEDTXTOZONC-UHFFFAOYSA-N
MW441.33 g/mol
LogP5.48
Rot. Bonds3

About 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 42765361) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID42765361
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC Name2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCCC1c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C21H21BrN4O2/c1-13-5-3-6-14(2)18(13)23-21(27)26-12-4-7-17(26)20-24-19(25-28-20)15-8-10-16(22)11-9-15/h3,5-6,8-11,17H,4,7,12H2,1-2H3,(H,23,27)
InChIKeyHPKAEDTXTOZONC-UHFFFAOYSA-N
XLogP5.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.33
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[2,6-di(propan-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 42765359
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 4283064
N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4239791
N-(4-bromophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4018213
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 4006841
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dichlorophenyl)pyrrolidine-1-carboxamide
CID 42765405
(2R)-N-(2,6-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295898
(2S)-N-(3-bromophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 7481960
N-(2,3-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4261812
(2R)-N-(2-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 93049749
(2R)-N-(2-ethylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7416330
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 42765128

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide (CID 42765361) is 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCCC1c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HPKAEDTXTOZONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c1-13-5-3-6-14(2)18(13)23-21(27)26-12-4-7-17(26)20-24-19(25-28-20)15-8-10-16(22)11-9-15/h3,5-6,8-11,17H,4,7,12H2,1-2H3,(H,23,27).
What are the key properties of 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide?
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 42765361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).