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

C22H24N4O3 — CID 53039403

IUPACN-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2noc(C3CCCN3C(=O)Nc3cccc(C)c3C)n2)c1
InChIInChI=1S/C22H24N4O3/c1-14-7-4-10-18(15(14)2)23-22(27)26-12-6-11-19(26)21-24-20(25-29-21)16-8-5-9-17(13-16)28-3/h4-5,7-10,13,19H,6,11-12H2,1-3H3,(H,23,27)
InChIKeyMKBPOKHHVWNHLX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.73
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 53039403) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID53039403
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2noc(C3CCCN3C(=O)Nc3cccc(C)c3C)n2)c1
InChIInChI=1S/C22H24N4O3/c1-14-7-4-10-18(15(14)2)23-22(27)26-12-6-11-19(26)21-24-20(25-29-21)16-8-5-9-17(13-16)28-3/h4-5,7-10,13,19H,6,11-12H2,1-3H3,(H,23,27)
InChIKeyMKBPOKHHVWNHLX-UHFFFAOYSA-N
XLogP4.73
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]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-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)pyrrolidine-1-carboxamide
CID 3947756
(2R)-N-(2,6-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295898
(2S)-N-(3,5-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057773
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 42761005
N-(2,3-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039468
(2S)-N-(2,4-dichlorophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 93100941
N-cyclopentyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039423
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7262323
(2R)-N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057843
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039437
(2R)-N-tert-butyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7238978
(2S)-N-cyclohexyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7364645

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 53039403) is N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is COc1cccc(-c2noc(C3CCCN3C(=O)Nc3cccc(C)c3C)n2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is MKBPOKHHVWNHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-7-4-10-18(15(14)2)23-22(27)26-12-6-11-19(26)21-24-20(25-29-21)16-8-5-9-17(13-16)28-3/h4-5,7-10,13,19H,6,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).