3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C24H20FN3O4 — CID 33127580

About 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 33127580) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 33127580
• Molecular Formula: C24H20FN3O4
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.14
• IUPAC Name: 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: COc1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1OCc1ccncc1
• InChI: InChI=1S/C24H20FN3O4/c1-15-22(23(28-32-15)17-3-5-18(25)6-4-17)24(29)27-19-7-8-20(30-2)21(13-19)31-14-16-9-11-26-12-10-16/h3-13H,14H2,1-2H3,(H,27,29)
• InChIKey: GKPPNOCRZRNUBA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 33127580) is 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1OCc1ccncc1.

What is the InChIKey of 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is GKPPNOCRZRNUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-15-22(23(28-32-15)17-3-5-18(25)6-4-17)24(29)27-19-7-8-20(30-2)21(13-19)31-14-16-9-11-26-12-10-16/h3-13H,14H2,1-2H3,(H,27,29).

What are the key properties of 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 33127580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).