3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline

C24H20F2N2O2 — CID 141081062

About 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline

3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline (PubChem CID 141081062) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline.

Molecular Properties

• Compound Name: 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline
• PubChem CID: 141081062
• Molecular Formula: C24H20F2N2O2
• Molecular Weight: 406.43 g/mol
• Exact Mass: 406.15
• IUPAC Name: 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(Nc2ccc(F)c(F)c2)cc1
• InChI: InChI=1S/C24H20F2N2O2/c1-16-23(28-24(30-16)17-5-3-2-4-6-17)13-14-29-20-10-7-18(8-11-20)27-19-9-12-21(25)22(26)15-19/h2-12,15,27H,13-14H2,1H3
• InChIKey: YWXQPURENQATGY-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 47.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.43
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline?

The IUPAC name of 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline (CID 141081062) is 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline.

What is the SMILES notation for 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline?

The canonical SMILES for 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline is Cc1oc(-c2ccccc2)nc1CCOc1ccc(Nc2ccc(F)c(F)c2)cc1.

What is the InChIKey of 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline?

The InChIKey is YWXQPURENQATGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-16-23(28-24(30-16)17-5-3-2-4-6-17)13-14-29-20-10-7-18(8-11-20)27-19-9-12-21(25)22(26)15-19/h2-12,15,27H,13-14H2,1H3.

What are the key properties of 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline?

3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline has a molecular weight of 406.43 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline is sourced from PubChem (CID 141081062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).