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

C23H19N3O3 — CID 665731

IUPACN-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H19N3O3/c1-2-28-20-15-9-8-14-19(20)24-22(27)17-12-6-7-13-18(17)23-25-21(26-29-23)16-10-4-3-5-11-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyIZBAYLILQMFOHH-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.05
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 665731) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID665731
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H19N3O3/c1-2-28-20-15-9-8-14-19(20)24-22(27)17-12-6-7-13-18(17)23-25-21(26-29-23)16-10-4-3-5-11-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyIZBAYLILQMFOHH-UHFFFAOYSA-N
XLogP5.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 665731) is N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is IZBAYLILQMFOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-28-20-15-9-8-14-19(20)24-22(27)17-12-6-7-13-18(17)23-25-21(26-29-23)16-10-4-3-5-11-16/h3-15H,2H2,1H3,(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 385.42 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 665731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).