4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid

C24H19N3O5 — CID 175525447

About 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid

4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid (PubChem CID 175525447) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid.

Molecular Properties

• Compound Name: 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
• PubChem CID: 175525447
• Molecular Formula: C24H19N3O5
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.13
• IUPAC Name: 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
• SMILES: COc1nc(-c2ccc(C(=O)O)cc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
• InChI: InChI=1S/C24H19N3O5/c1-14-20(21(27-32-14)16-6-4-3-5-7-16)22(28)25-19-13-12-18(26-23(19)31-2)15-8-10-17(11-9-15)24(29)30/h3-13H,1-2H3,(H,25,28)(H,29,30)
• InChIKey: CQAGQDIJFIJJBA-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 114.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid?

The IUPAC name of 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid (CID 175525447) is 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid.

What is the SMILES notation for 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid?

The canonical SMILES for 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid is COc1nc(-c2ccc(C(=O)O)cc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.

What is the InChIKey of 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid?

The InChIKey is CQAGQDIJFIJJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-14-20(21(27-32-14)16-6-4-3-5-7-16)22(28)25-19-13-12-18(26-23(19)31-2)15-8-10-17(11-9-15)24(29)30/h3-13H,1-2H3,(H,25,28)(H,29,30).

What are the key properties of 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid?

4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid has a molecular weight of 429.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 175525447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).