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

C23H18ClFN2O3S — CID 18824916

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

N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18824916) has the molecular formula C23H18ClFN2O3S and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
• PubChem CID: 18824916
• Molecular Formula: C23H18ClFN2O3S
• Molecular Weight: 456.93 g/mol
• Exact Mass: 456.07
• IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine
• SMILES: Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(Cl)cc3)o2)c1
• InChI: InChI=1S/C23H18ClFN2O3S/c1-15-3-2-4-17(13-15)21-27-23(31(28,29)20-11-9-19(25)10-12-20)22(30-21)26-14-16-5-7-18(24)8-6-16/h2-13,26H,14H2,1H3
• InChIKey: SUEOAICEIJPCNT-UHFFFAOYSA-N
• XLogP: 5.89
• 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	456.93
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine (CID 18824916) is N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine.

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

The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine is Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3ccc(Cl)cc3)o2)c1.

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

The InChIKey is SUEOAICEIJPCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3S/c1-15-3-2-4-17(13-15)21-27-23(31(28,29)20-11-9-19(25)10-12-20)22(30-21)26-14-16-5-7-18(24)8-6-16/h2-13,26H,14H2,1H3.

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

N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 456.93 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18824916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).