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

C20H21N3O3 — CID 3780590

IUPACN-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C20H21N3O3/c1-3-25-17-10-5-4-9-16(17)21-18(24)11-12-19-22-20(23-26-19)15-8-6-7-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyGOVYBZYFCXDWAJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.02
Rot. Bonds7

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

N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3780590) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3780590
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C20H21N3O3/c1-3-25-17-10-5-4-9-16(17)21-18(24)11-12-19-22-20(23-26-19)15-8-6-7-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyGOVYBZYFCXDWAJ-UHFFFAOYSA-N
XLogP4.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3780590) is N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is GOVYBZYFCXDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-17-10-5-4-9-16(17)21-18(24)11-12-19-22-20(23-26-19)15-8-6-7-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3780590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).