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

C24H20ClFN2O4S — CID 18826885

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

4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine (PubChem CID 18826885) has the molecular formula C24H20ClFN2O4S and a molecular weight of 486.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
• PubChem CID: 18826885
• Molecular Formula: C24H20ClFN2O4S
• Molecular Weight: 486.95 g/mol
• Exact Mass: 486.08
• IUPAC Name: 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
• SMILES: COc1ccc(CCNc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C24H20ClFN2O4S/c1-31-18-10-6-16(7-11-18)14-15-27-23-24(33(29,30)19-12-8-17(25)9-13-19)28-22(32-23)20-4-2-3-5-21(20)26/h2-13,27H,14-15H2,1H3
• InChIKey: QCYJGPDCSHQJCC-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.95
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine (CID 18826885) is 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine.

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

The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine is COc1ccc(CCNc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1.

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

The InChIKey is QCYJGPDCSHQJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O4S/c1-31-18-10-6-16(7-11-18)14-15-27-23-24(33(29,30)19-12-8-17(25)9-13-19)28-22(32-23)20-4-2-3-5-21(20)26/h2-13,27H,14-15H2,1H3.

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

4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine has a molecular weight of 486.95 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 18826885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).