2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide

C25H20N6O3 — CID 162733998

IUPAC2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESN#Cc1cccc(CN2CCN(c3nc(C(=O)Nc4ccc(-n5cccc5)cc4)co3)C2=O)c1
InChIInChI=1S/C25H20N6O3/c26-15-18-4-3-5-19(14-18)16-30-12-13-31(25(30)33)24-28-22(17-34-24)23(32)27-20-6-8-21(9-7-20)29-10-1-2-11-29/h1-11,14,17H,12-13,16H2,(H,27,32)
InChIKeyASTXPKOMPBFAKP-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.03
Rot. Bonds6

About 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide

2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 162733998) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID162733998
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESN#Cc1cccc(CN2CCN(c3nc(C(=O)Nc4ccc(-n5cccc5)cc4)co3)C2=O)c1
InChIInChI=1S/C25H20N6O3/c26-15-18-4-3-5-19(14-18)16-30-12-13-31(25(30)33)24-28-22(17-34-24)23(32)27-20-6-8-21(9-7-20)29-10-1-2-11-29/h1-11,14,17H,12-13,16H2,(H,27,32)
InChIKeyASTXPKOMPBFAKP-UHFFFAOYSA-N
XLogP4.03
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-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

US8962609, Dmx-39
CID 56645423
N-(4-(4-cyano-4-phenylpiperidine-1-carbonyl)oxazol-2-yl)isonicotinamide
CID 72717068
2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-phenyl-1,3-oxazole-4-carboxamide
CID 132469134
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 134369689
2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide
CID 163458393
2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 169075504
N-(3,3-diphenylpropyl)-2-(isonicotinamido)oxazole-4-carboxamide
CID 72717054
N-[5-[[1-(1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]pyridin-2-yl]-1,3-oxazole-4-carboxamide
CID 136554366
N-[1-(4-phenylpyrimidin-2-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 177888563

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide (CID 162733998) is 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide is N#Cc1cccc(CN2CCN(c3nc(C(=O)Nc4ccc(-n5cccc5)cc4)co3)C2=O)c1.
What is the InChIKey of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ASTXPKOMPBFAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c26-15-18-4-3-5-19(14-18)16-30-12-13-31(25(30)33)24-28-22(17-34-24)23(32)27-20-6-8-21(9-7-20)29-10-1-2-11-29/h1-11,14,17H,12-13,16H2,(H,27,32).
What are the key properties of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide?
2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(4-pyrrol-1-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 162733998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).