2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide

C23H19N3O4 — CID 2016311

IUPAC2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C23H19N3O4/c1-28-19-13-12-15(14-20(19)29-2)21-25-23(30-26-21)18-11-7-6-10-17(18)22(27)24-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,24,27)
InChIKeyUXNTXYWKDFFKTB-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.67
Rot. Bonds6

About 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide

2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide (PubChem CID 2016311) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
PubChem CID2016311
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C23H19N3O4/c1-28-19-13-12-15(14-20(19)29-2)21-25-23(30-26-21)18-11-7-6-10-17(18)22(27)24-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,24,27)
InChIKeyUXNTXYWKDFFKTB-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

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Related Compounds

2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 2013125
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
N-propan-2-yl-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3159481
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4900186
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-nitrophenyl)benzamide
CID 2231217
2-chloro-N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-difluorobenzamide
CID 39854105

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide (CID 2016311) is 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide is COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3)n2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
The InChIKey is UXNTXYWKDFFKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-19-13-12-15(14-20(19)29-2)21-25-23(30-26-21)18-11-7-6-10-17(18)22(27)24-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,24,27).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide?
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide 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 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide is sourced from PubChem (CID 2016311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).