N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C23H19N3O4 — CID 50829226

IUPACN-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1OC
InChIInChI=1S/C23H19N3O4/c1-28-19-13-12-18(14-20(19)29-2)24-22(27)16-8-10-17(11-9-16)23-25-21(26-30-23)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,27)
InChIKeySRGGJPNBKMLYOA-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.67
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 50829226) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID50829226
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1OC
InChIInChI=1S/C23H19N3O4/c1-28-19-13-12-18(14-20(19)29-2)24-22(27)16-8-10-17(11-9-16)23-25-21(26-30-23)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,27)
InChIKeySRGGJPNBKMLYOA-UHFFFAOYSA-N
XLogP4.67
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-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-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
N-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828728

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 50829226) is N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is SRGGJPNBKMLYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-19-13-12-18(14-20(19)29-2)24-22(27)16-8-10-17(11-9-16)23-25-21(26-30-23)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 401.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 50829226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).