N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide

C24H21N3O4 — CID 665644

IUPACN-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C24H21N3O4/c1-3-30-21-15-9-7-13-19(21)25-23(28)16-10-4-5-11-17(16)24-26-22(27-31-24)18-12-6-8-14-20(18)29-2/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyXTVRXXHHMRQUOD-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.06
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide

N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 665644) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID665644
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C24H21N3O4/c1-3-30-21-15-9-7-13-19(21)25-23(28)16-10-4-5-11-17(16)24-26-22(27-31-24)18-12-6-8-14-20(18)29-2/h4-15H,3H2,1-2H3,(H,25,28)
InChIKeyXTVRXXHHMRQUOD-UHFFFAOYSA-N
XLogP5.06
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 665644) is N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is XTVRXXHHMRQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-3-30-21-15-9-7-13-19(21)25-23(28)16-10-4-5-11-17(16)24-26-22(27-31-24)18-12-6-8-14-20(18)29-2/h4-15H,3H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 665644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).