3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide

C25H23F3N4O4 — CID 66737704

About 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide

3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide (PubChem CID 66737704) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide.

Molecular Properties

• Compound Name: 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
• PubChem CID: 66737704
• Molecular Formula: C25H23F3N4O4
• Molecular Weight: 500.48 g/mol
• Exact Mass: 500.17
• IUPAC Name: 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
• SMILES: COc1ccc2nccc(C=CC(=O)N(C)CC3CN(c4ccc(C)c(C(F)(F)F)c4)C(=O)O3)c2n1
• InChI: InChI=1S/C25H23F3N4O4/c1-15-4-6-17(12-19(15)25(26,27)28)32-14-18(36-24(32)34)13-31(2)22(33)9-5-16-10-11-29-20-7-8-21(35-3)30-23(16)20/h4-12,18H,13-14H2,1-3H3
• InChIKey: OKBHOHVJSBCWHI-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 84.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.48
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

The IUPAC name of 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide (CID 66737704) is 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide.

What is the SMILES notation for 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

The canonical SMILES for 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide is COc1ccc2nccc(C=CC(=O)N(C)CC3CN(c4ccc(C)c(C(F)(F)F)c4)C(=O)O3)c2n1.

What is the InChIKey of 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

The InChIKey is OKBHOHVJSBCWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c1-15-4-6-17(12-19(15)25(26,27)28)32-14-18(36-24(32)34)13-31(2)22(33)9-5-16-10-11-29-20-7-8-21(35-3)30-23(16)20/h4-12,18H,13-14H2,1-3H3.

What are the key properties of 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide has a molecular weight of 500.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide is sourced from PubChem (CID 66737704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).