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

C20H21N3O3 — CID 1250111

IUPACN-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-4-7-16(12-14(13)2)21-18(24)10-11-19-22-20(23-26-19)15-5-8-17(25-3)9-6-15/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyWXMAKWBPFWKZLJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.93
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 1250111) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID1250111
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-4-7-16(12-14(13)2)21-18(24)10-11-19-22-20(23-26-19)15-5-8-17(25-3)9-6-15/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyWXMAKWBPFWKZLJ-UHFFFAOYSA-N
XLogP3.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 1250111) is N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is WXMAKWBPFWKZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-4-7-16(12-14(13)2)21-18(24)10-11-19-22-20(23-26-19)15-5-8-17(25-3)9-6-15/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 1250111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).