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

C29H22N4O3 — CID 55797169

IUPACN-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)o1
InChIInChI=1S/C29H22N4O3/c1-19-8-5-6-13-25(19)29-33-32-28(36-29)22-16-14-21(15-17-22)27(35)31-24-12-7-11-23(18-24)30-26(34)20-9-3-2-4-10-20/h2-18H,1H3,(H,30,34)(H,31,35)
InChIKeyINOBDJONWIRWCR-UHFFFAOYSA-N
MW474.52 g/mol
LogP6.22
Rot. Bonds6

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

N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 55797169) has the molecular formula C29H22N4O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID55797169
Molecular FormulaC29H22N4O3
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC NameN-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)o1
InChIInChI=1S/C29H22N4O3/c1-19-8-5-6-13-25(19)29-33-32-28(36-29)22-16-14-21(15-17-22)27(35)31-24-12-7-11-23(18-24)30-26(34)20-9-3-2-4-10-20/h2-18H,1H3,(H,30,34)(H,31,35)
InChIKeyINOBDJONWIRWCR-UHFFFAOYSA-N
XLogP6.22
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
CID 56517932
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24608350
2-methyl-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2993930
N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenylacetamide
CID 2993583
[1-(3-methylanilino)-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 55508630
N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42934242
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55542467
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41479452

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 55797169) is N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)o1.
What is the InChIKey of N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is INOBDJONWIRWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O3/c1-19-8-5-6-13-25(19)29-33-32-28(36-29)22-16-14-21(15-17-22)27(35)31-24-12-7-11-23(18-24)30-26(34)20-9-3-2-4-10-20/h2-18H,1H3,(H,30,34)(H,31,35).
What are the key properties of N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 474.52 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 55797169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).