5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

C22H21N5O4 — CID 91917698

About 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 91917698) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 91917698
• Molecular Formula: C22H21N5O4
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.16
• IUPAC Name: 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccccc1OCc1c(C(=O)NCCc2noc(-c3cccnc3)n2)noc1C
• InChI: InChI=1S/C22H21N5O4/c1-14-6-3-4-8-18(14)29-13-17-15(2)30-27-20(17)21(28)24-11-9-19-25-22(31-26-19)16-7-5-10-23-12-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,24,28)
• InChIKey: NUAUAVOLHGCCNE-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 116.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 91917698) is 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1ccccc1OCc1c(C(=O)NCCc2noc(-c3cccnc3)n2)noc1C.

What is the InChIKey of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is NUAUAVOLHGCCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-14-6-3-4-8-18(14)29-13-17-15(2)30-27-20(17)21(28)24-11-9-19-25-22(31-26-19)16-7-5-10-23-12-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,24,28).

What are the key properties of 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide?

5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91917698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).