3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide

C25H18F2N2O2 — CID 69285195

About 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide

3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide (PubChem CID 69285195) has the molecular formula C25H18F2N2O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
• PubChem CID: 69285195
• Molecular Formula: C25H18F2N2O2
• Molecular Weight: 416.43 g/mol
• Exact Mass: 416.13
• IUPAC Name: 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
• SMILES: Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)C=Cc2c(F)cccc2F)cc1
• InChI: InChI=1S/C25H18F2N2O2/c1-16-5-6-18(25-28-13-14-31-25)15-21(16)17-7-9-19(10-8-17)29-24(30)12-11-20-22(26)3-2-4-23(20)27/h2-15H,1H3,(H,29,30)
• InChIKey: OTTBPDJHZYHBDV-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

The IUPAC name of 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide (CID 69285195) is 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide.

What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

The canonical SMILES for 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)C=Cc2c(F)cccc2F)cc1.

What is the InChIKey of 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

The InChIKey is OTTBPDJHZYHBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O2/c1-16-5-6-18(25-28-13-14-31-25)15-21(16)17-7-9-19(10-8-17)29-24(30)12-11-20-22(26)3-2-4-23(20)27/h2-15H,1H3,(H,29,30).

What are the key properties of 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide has a molecular weight of 416.43 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 69285195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).