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

C18H17N3O3 — CID 5213518

IUPACN-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C18H17N3O3/c1-3-19-17(22)12-8-4-5-9-13(12)18-20-16(21-24-18)14-10-6-7-11-15(14)23-2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyRTZWBVOZIZKQAU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.16
Rot. Bonds5

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

N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 5213518) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID5213518
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C18H17N3O3/c1-3-19-17(22)12-8-4-5-9-13(12)18-20-16(21-24-18)14-10-6-7-11-15(14)23-2/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyRTZWBVOZIZKQAU-UHFFFAOYSA-N
XLogP3.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Irampanel
CID 3038472
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 3737087
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-(2,2'-Dimethylbiphenyl-4-YL)-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256388
3-[(3-Methoxyphenyl)methyl]-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 71585284
3-[(3-Methoxyphenyl)methyl]-5-(5-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 89615803
3-Benzyl-5-(5-fluoro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 89615853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 5213518) is N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is CCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1.
What is the InChIKey of N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is RTZWBVOZIZKQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-19-17(22)12-8-4-5-9-13(12)18-20-16(21-24-18)14-10-6-7-11-15(14)23-2/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 5213518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).