3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide

C25H22FN3O4 — CID 33126695

About 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide (PubChem CID 33126695) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
• PubChem CID: 33126695
• Molecular Formula: C25H22FN3O4
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.16
• IUPAC Name: 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
• SMILES: COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OCc1ccncc1
• InChI: InChI=1S/C25H22FN3O4/c1-31-21-7-6-20(14-22(21)32-16-17-10-12-27-13-11-17)29-24(30)8-9-25-28-15-23(33-25)18-2-4-19(26)5-3-18/h2-7,10-15H,8-9,16H2,1H3,(H,29,30)
• InChIKey: KVTJEEBKUYBLFU-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide (CID 33126695) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide.

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

The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide is COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OCc1ccncc1.

What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide?

The InChIKey is KVTJEEBKUYBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-31-21-7-6-20(14-22(21)32-16-17-10-12-27-13-11-17)29-24(30)8-9-25-28-15-23(33-25)18-2-4-19(26)5-3-18/h2-7,10-15H,8-9,16H2,1H3,(H,29,30).

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide has a molecular weight of 447.47 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 33126695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).