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

C25H22N4O3 — CID 55672183

IUPACN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C25H22N4O3/c1-16-6-5-8-20(14-16)25-29-28-24(32-25)18-12-10-17(11-13-18)23(31)27-21-9-4-3-7-19(21)15-22(30)26-2/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyPWCMBQAQQNGXNA-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.25
Rot. Bonds6

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

N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 55672183) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID55672183
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C25H22N4O3/c1-16-6-5-8-20(14-16)25-29-28-24(32-25)18-12-10-17(11-13-18)23(31)27-21-9-4-3-7-19(21)15-22(30)26-2/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyPWCMBQAQQNGXNA-UHFFFAOYSA-N
XLogP4.25
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]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-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46466143
N-(2-methyl-5-nitrophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55537251
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
CID 38035970
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481
N-(3-chloro-4-fluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708774
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 38040917
5-bromo-N'-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]thiophene-2-carbohydrazide
CID 38035727
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 55672183) is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CNC(=O)Cc1ccccc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is PWCMBQAQQNGXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16-6-5-8-20(14-16)25-29-28-24(32-25)18-12-10-17(11-13-18)23(31)27-21-9-4-3-7-19(21)15-22(30)26-2/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 55672183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).