N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine

C19H12ClFN2O4S — CID 18826417

About N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine

N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (PubChem CID 18826417) has the molecular formula C19H12ClFN2O4S and a molecular weight of 418.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
• PubChem CID: 18826417
• Molecular Formula: C19H12ClFN2O4S
• Molecular Weight: 418.83 g/mol
• Exact Mass: 418.02
• IUPAC Name: N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
• SMILES: O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(Cl)cc1
• InChI: InChI=1S/C19H12ClFN2O4S/c20-12-3-7-14(8-4-12)22-18-19(23-17(27-18)16-2-1-11-26-16)28(24,25)15-9-5-13(21)6-10-15/h1-11,22H
• InChIKey: OCNQDJZGZANBRN-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 85.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.83
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?

The IUPAC name of N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (CID 18826417) is N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.

What is the SMILES notation for N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?

The canonical SMILES for N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?

The InChIKey is OCNQDJZGZANBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O4S/c20-12-3-7-14(8-4-12)22-18-19(23-17(27-18)16-2-1-11-26-16)28(24,25)15-9-5-13(21)6-10-15/h1-11,22H.

What are the key properties of N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?

N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine has a molecular weight of 418.83 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).