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

C19H19N3O2 — CID 2988103

IUPAC2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1cccc(-c2noc(CNC(=O)c3ccc(C)cc3C)n2)c1
InChIInChI=1S/C19H19N3O2/c1-12-5-4-6-15(10-12)18-21-17(24-22-18)11-20-19(23)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyLGURELVSZVWTPR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.59
Rot. Bonds4

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

2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 2988103) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID2988103
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1cccc(-c2noc(CNC(=O)c3ccc(C)cc3C)n2)c1
InChIInChI=1S/C19H19N3O2/c1-12-5-4-6-15(10-12)18-21-17(24-22-18)11-20-19(23)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyLGURELVSZVWTPR-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 2988103) is 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1cccc(-c2noc(CNC(=O)c3ccc(C)cc3C)n2)c1.
What is the InChIKey of 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is LGURELVSZVWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-5-4-6-15(10-12)18-21-17(24-22-18)11-20-19(23)16-8-7-13(2)9-14(16)3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 2988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).