N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine

C23H18F2N2O3S — CID 171336710

About N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine

N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 171336710) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
• PubChem CID: 171336710
• Molecular Formula: C23H18F2N2O3S
• Molecular Weight: 440.47 g/mol
• Exact Mass: 440.10
• IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
• SMILES: Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3F)c(NCc3ccc(F)cc3)o2)cc1
• InChI: InChI=1S/C23H18F2N2O3S/c1-15-6-10-17(11-7-15)21-27-23(31(28,29)20-5-3-2-4-19(20)25)22(30-21)26-14-16-8-12-18(24)13-9-16/h2-13,26H,14H2,1H3
• InChIKey: HYTJRPKQPPTFGG-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.47
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?

The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (CID 171336710) is N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3F)c(NCc3ccc(F)cc3)o2)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?

The InChIKey is HYTJRPKQPPTFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c1-15-6-10-17(11-7-15)21-27-23(31(28,29)20-5-3-2-4-19(20)25)22(30-21)26-14-16-8-12-18(24)13-9-16/h2-13,26H,14H2,1H3.

What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?

N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 440.47 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 171336710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).