2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide

C24H20N4O3 — CID 56517932

IUPAC2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)ccc1C(N)=O
InChIInChI=1S/C24H20N4O3/c1-14-5-3-4-6-20(14)24-28-27-23(31-24)17-9-7-16(8-10-17)22(30)26-18-11-12-19(21(25)29)15(2)13-18/h3-13H,1-2H3,(H2,25,29)(H,26,30)
InChIKeyNPKMGOOYRMPTFM-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.37
Rot. Bonds5

About 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide

2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide (PubChem CID 56517932) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
PubChem CID56517932
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)ccc1C(N)=O
InChIInChI=1S/C24H20N4O3/c1-14-5-3-4-6-20(14)24-28-27-23(31-24)17-9-7-16(8-10-17)22(30)26-18-11-12-19(21(25)29)15(2)13-18/h3-13H,1-2H3,(H2,25,29)(H,26,30)
InChIKeyNPKMGOOYRMPTFM-UHFFFAOYSA-N
XLogP4.37
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
2-methyl-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2993930
2-methyl-N-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 17171765
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41479452
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24608350
N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
[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-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55542467
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide (CID 56517932) is 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide is Cc1cc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
The InChIKey is NPKMGOOYRMPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-14-5-3-4-6-20(14)24-28-27-23(31-24)17-9-7-16(8-10-17)22(30)26-18-11-12-19(21(25)29)15(2)13-18/h3-13H,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide?
2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide is sourced from PubChem (CID 56517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).