4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide

C29H23N5O3 — CID 24676925

IUPAC4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)o1
InChIInChI=1S/C29H23N5O3/c1-19-7-5-6-10-25(19)28-34-33-27(37-28)21-13-11-20(12-14-21)26(35)30-23-15-17-24(18-16-23)32-29(36)31-22-8-3-2-4-9-22/h2-18H,1H3,(H,30,35)(H2,31,32,36)
InChIKeyIKKAJADBGGDPCG-UHFFFAOYSA-N
MW489.54 g/mol
LogP6.61
Rot. Bonds6

About 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 24676925) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID24676925
Molecular FormulaC29H23N5O3
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)o1
InChIInChI=1S/C29H23N5O3/c1-19-7-5-6-10-25(19)28-34-33-27(37-28)21-13-11-20(12-14-21)26(35)30-23-15-17-24(18-16-23)32-29(36)31-22-8-3-2-4-9-22/h2-18H,1H3,(H,30,35)(H2,31,32,36)
InChIKeyIKKAJADBGGDPCG-UHFFFAOYSA-N
XLogP6.61
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide 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

N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
CID 56517932
2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 17171765
N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
CID 170150882
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42934242
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24608350
4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843884
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide (CID 24676925) is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)o1.
What is the InChIKey of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is IKKAJADBGGDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3/c1-19-7-5-6-10-25(19)28-34-33-27(37-28)21-13-11-20(12-14-21)26(35)30-23-15-17-24(18-16-23)32-29(36)31-22-8-3-2-4-9-22/h2-18H,1H3,(H,30,35)(H2,31,32,36).
What are the key properties of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 489.54 g/mol, XLogP of 6.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 24676925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).