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

C23H18N4O3 — CID 45021441

IUPAC3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)c1
InChIInChI=1S/C23H18N4O3/c1-15-7-5-10-17(13-15)20(28)24-19-12-6-11-18(14-19)21(29)25-23-27-26-22(30-23)16-8-3-2-4-9-16/h2-14H,1H3,(H,24,28)(H,25,27,29)
InChIKeyJBHFPPUZXMGDSR-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.55
Rot. Bonds5

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

3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide (PubChem CID 45021441) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
PubChem CID45021441
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)c1
InChIInChI=1S/C23H18N4O3/c1-15-7-5-10-17(13-15)20(28)24-19-12-6-11-18(14-19)21(29)25-23-27-26-22(30-23)16-8-3-2-4-9-16/h2-14H,1H3,(H,24,28)(H,25,27,29)
InChIKeyJBHFPPUZXMGDSR-UHFFFAOYSA-N
XLogP4.55
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]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-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
CID 45017389
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16854742
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(2,2,2-trichloroacetyl)amino]benzamide
CID 45010959
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide (CID 45021441) is 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide?
The InChIKey is JBHFPPUZXMGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-15-7-5-10-17(13-15)20(28)24-19-12-6-11-18(14-19)21(29)25-23-27-26-22(30-23)16-8-3-2-4-9-16/h2-14H,1H3,(H,24,28)(H,25,27,29).
What are the key properties of 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide?
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide has a molecular weight of 398.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 45021441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).