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

C20H21N3O3 — CID 110334933

IUPACN-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1cccc(-c2nnc(CCC(=O)Nc3ccc(C)cc3C)o2)c1
InChIInChI=1S/C20H21N3O3/c1-13-7-8-17(14(2)11-13)21-18(24)9-10-19-22-23-20(26-19)15-5-4-6-16(12-15)25-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeySVDODVJGXKMYTE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.93
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334933) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334933
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1cccc(-c2nnc(CCC(=O)Nc3ccc(C)cc3C)o2)c1
InChIInChI=1S/C20H21N3O3/c1-13-7-8-17(14(2)11-13)21-18(24)9-10-19-22-23-20(26-19)15-5-4-6-16(12-15)25-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeySVDODVJGXKMYTE-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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Related Compounds

N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977
N-(2,4-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4023777
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334979
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 110334418
3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-(2,5-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5109261

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334933) is N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is COc1cccc(-c2nnc(CCC(=O)Nc3ccc(C)cc3C)o2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is SVDODVJGXKMYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-7-8-17(14(2)11-13)21-18(24)9-10-19-22-23-20(26-19)15-5-4-6-16(12-15)25-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-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-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).