N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C21H23N5O2 — CID 156601928

IUPACN-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CC(C)C(c3nc(-c4cccnc4)no3)C2)c1
InChIInChI=1S/C21H23N5O2/c1-13-6-7-14(2)18(9-13)23-21(27)26-11-15(3)17(12-26)20-24-19(25-28-20)16-5-4-8-22-10-16/h4-10,15,17H,11-12H2,1-3H3,(H,23,27)
InChIKeyUXTYDNAYLWUKGF-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.02
Rot. Bonds3

About N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 156601928) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID156601928
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CC(C)C(c3nc(-c4cccnc4)no3)C2)c1
InChIInChI=1S/C21H23N5O2/c1-13-6-7-14(2)18(9-13)23-21(27)26-11-15(3)17(12-26)20-24-19(25-28-20)16-5-4-8-22-10-16/h4-10,15,17H,11-12H2,1-3H3,(H,23,27)
InChIKeyUXTYDNAYLWUKGF-UHFFFAOYSA-N
XLogP4.02
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051960
5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 87051934
(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051969
1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 156601911
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 50769457
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103026
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 114085802
[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
CID 156611490
(2,6-dimethoxyphenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051988

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 156601928) is N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CC(C)C(c3nc(-c4cccnc4)no3)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is UXTYDNAYLWUKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-6-7-14(2)18(9-13)23-21(27)26-11-15(3)17(12-26)20-24-19(25-28-20)16-5-4-8-22-10-16/h4-10,15,17H,11-12H2,1-3H3,(H,23,27).
What are the key properties of N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 156601928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).