[2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate

C25H20FNO5 — CID 41237251

About [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate (PubChem CID 41237251) has the molecular formula C25H20FNO5 and a molecular weight of 433.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
• PubChem CID: 41237251
• Molecular Formula: C25H20FNO5
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.13
• IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
• SMILES: Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(F)cc1
• InChI: InChI=1S/C25H20FNO5/c1-15-22(16(2)32-27-15)13-30-24-12-19-6-4-3-5-18(19)11-21(24)25(29)31-14-23(28)17-7-9-20(26)10-8-17/h3-12H,13-14H2,1-2H3
• InChIKey: YWRJYYFETLJKLC-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 78.63 Ų
• 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	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?

The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate (CID 41237251) is [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate.

What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?

The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(F)cc1.

What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?

The InChIKey is YWRJYYFETLJKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO5/c1-15-22(16(2)32-27-15)13-30-24-12-19-6-4-3-5-18(19)11-21(24)25(29)31-14-23(28)17-7-9-20(26)10-8-17/h3-12H,13-14H2,1-2H3.

What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate?

[2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-fluorophenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 41237251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).