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

C24H25ClN4O3 — CID 55361290

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C24H25ClN4O3/c1-3-12-28(15-21-26-27-23(32-21)19-6-4-5-7-20(19)25)24(31)17-13-22(30)29(14-17)18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3
InChIKeyZBINEOUNROEDTR-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.49
Rot. Bonds7

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 55361290) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID55361290
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C24H25ClN4O3/c1-3-12-28(15-21-26-27-23(32-21)19-6-4-5-7-20(19)25)24(31)17-13-22(30)29(14-17)18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3
InChIKeyZBINEOUNROEDTR-UHFFFAOYSA-N
XLogP4.49
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 55542675
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(2-oxopiperidin-1-yl)-N-propylbenzamide
CID 55429486
1-(2-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 112794807
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonyl-N-propylpiperidine-3-carboxamide
CID 55555696
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-carbonyl)-N-propylpiperidine-4-carboxamide
CID 55394988
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
CID 39731359
2-[(4-chlorophenyl)methylsulfanyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361355

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 55361290) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is ZBINEOUNROEDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-3-12-28(15-21-26-27-23(32-21)19-6-4-5-7-20(19)25)24(31)17-13-22(30)29(14-17)18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55361290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).