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

C23H19N3O4 — CID 665676

IUPACN-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-17-12-10-15(11-13-17)21-25-23(30-26-21)20-9-4-3-8-19(20)22(27)24-16-6-5-7-18(14-16)29-2/h3-14H,1-2H3,(H,24,27)
InChIKeyHZZGBUKOGHGEBN-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.67
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 665676) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID665676
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-17-12-10-15(11-13-17)21-25-23(30-26-21)20-9-4-3-8-19(20)22(27)24-16-6-5-7-18(14-16)29-2/h3-14H,1-2H3,(H,24,27)
InChIKeyHZZGBUKOGHGEBN-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 665676) is N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is HZZGBUKOGHGEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-17-12-10-15(11-13-17)21-25-23(30-26-21)20-9-4-3-8-19(20)22(27)24-16-6-5-7-18(14-16)29-2/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-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-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 665676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).