5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C19H19N3O2 — CID 22432027

IUPAC5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(Cc2nnc(C(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-8-10-15(11-9-13)12-17-21-22-19(24-17)18(23)20-14(2)16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H,20,23)
InChIKeyXJNALVZAADHENK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.46
Rot. Bonds5

About 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22432027) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22432027
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(Cc2nnc(C(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-8-10-15(11-9-13)12-17-21-22-19(24-17)18(23)20-14(2)16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H,20,23)
InChIKeyXJNALVZAADHENK-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22432027) is 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(Cc2nnc(C(=O)NC(C)c3ccccc3)o2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XJNALVZAADHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-8-10-15(11-9-13)12-17-21-22-19(24-17)18(23)20-14(2)16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H,20,23).
What are the key properties of 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22432027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).