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

C23H24N4O3 — CID 134048312

IUPACN,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCCC4C(=O)N(C)C)cc3)o2)c1
InChIInChI=1S/C23H24N4O3/c1-15-6-4-7-18(14-15)21-25-24-20(30-21)16-9-11-17(12-10-16)22(28)27-13-5-8-19(27)23(29)26(2)3/h4,6-7,9-12,14,19H,5,8,13H2,1-3H3
InChIKeyHMTJXVYLOCZOEF-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.40
Rot. Bonds4

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

N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 134048312) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide
PubChem CID134048312
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCCC4C(=O)N(C)C)cc3)o2)c1
InChIInChI=1S/C23H24N4O3/c1-15-6-4-7-18(14-15)21-25-24-20(30-21)16-9-11-17(12-10-16)22(28)27-13-5-8-19(27)23(29)26(2)3/h4,6-7,9-12,14,19H,5,8,13H2,1-3H3
InChIKeyHMTJXVYLOCZOEF-UHFFFAOYSA-N
XLogP3.40
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134046698
[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 38169652
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46446205
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 38092404
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
(2S)-1-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 9345473
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide (CID 134048312) is N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCCC4C(=O)N(C)C)cc3)o2)c1.
What is the InChIKey of N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is HMTJXVYLOCZOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-6-4-7-18(14-15)21-25-24-20(30-21)16-9-11-17(12-10-16)22(28)27-13-5-8-19(27)23(29)26(2)3/h4,6-7,9-12,14,19H,5,8,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134048312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).