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

C19H19N3O3 — CID 665665

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-13-4-3-5-15(12-13)20-17(23)10-11-18-21-19(22-25-18)14-6-8-16(24-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyYVXLCSZPZTXZJA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.62
Rot. Bonds6

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

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide (PubChem CID 665665) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
PubChem CID665665
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-13-4-3-5-15(12-13)20-17(23)10-11-18-21-19(22-25-18)14-6-8-16(24-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyYVXLCSZPZTXZJA-UHFFFAOYSA-N
XLogP3.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide (CID 665665) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide is COc1ccc(-c2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is YVXLCSZPZTXZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-4-3-5-15(12-13)20-17(23)10-11-18-21-19(22-25-18)14-6-8-16(24-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 665665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).