2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

C42H40N10O9 — CID 159139917

About 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (PubChem CID 159139917) has the molecular formula C42H40N10O9 and a molecular weight of 828.84 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
• PubChem CID: 159139917
• Molecular Formula: C42H40N10O9
• Molecular Weight: 828.84 g/mol
• Exact Mass: 828.30
• IUPAC Name: 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
• SMILES: COc1ccc(-c2nc(CCN)co2)cc1.COc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C)n4)c3)co2)cc1.Cc1nc(-c2cncc(C(=O)O)c2)no1
• InChI: InChI=1S/C21H19N5O4.C12H14N2O2.C9H7N3O3/c1-13-24-19(26-30-13)15-9-16(11-22-10-15)20(27)23-8-7-17-12-29-21(25-17)14-3-5-18(28-2)6-4-14;1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-6,9-12H,7-8H2,1-2H3,(H,23,27);2-5,8H,6-7,13H2,1H3;2-4H,1H3,(H,13,14)
• InChIKey: KHYVMMVKCPTQJD-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 266.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	828.84
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (CID 159139917) is 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is COc1ccc(-c2nc(CCN)co2)cc1.COc1ccc(-c2nc(CCNC(=O)c3cncc(-c4noc(C)n4)c3)co2)cc1.Cc1nc(-c2cncc(C(=O)O)c2)no1.

What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The InChIKey is KHYVMMVKCPTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4.C12H14N2O2.C9H7N3O3/c1-13-24-19(26-30-13)15-9-16(11-22-10-15)20(27)23-8-7-17-12-29-21(25-17)14-3-5-18(28-2)6-4-14;1-15-11-4-2-9(3-5-11)12-14-10(6-7-13)8-16-12;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-6,9-12H,7-8H2,1-2H3,(H,23,27);2-5,8H,6-7,13H2,1H3;2-4H,1H3,(H,13,14).

What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 828.84 g/mol, XLogP of 6.07, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159139917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).