2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C19H19N3O2 — CID 6459958

IUPAC2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-6-8-15(9-7-13)11-17(23)20-12-18-21-19(22-24-18)16-5-3-4-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyWNFWNWPKVXDYFC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds5

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

2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 6459958) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID6459958
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-6-8-15(9-7-13)11-17(23)20-12-18-21-19(22-24-18)16-5-3-4-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyWNFWNWPKVXDYFC-UHFFFAOYSA-N
XLogP3.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 6459958) is 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1ccc(CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is WNFWNWPKVXDYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-6-8-15(9-7-13)11-17(23)20-12-18-21-19(22-24-18)16-5-3-4-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 6459958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).