N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine

C22H20N2O5S — CID 18826375

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

N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18826375) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
• PubChem CID: 18826375
• Molecular Formula: C22H20N2O5S
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.11
• IUPAC Name: N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
• SMILES: CCOc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C22H20N2O5S/c1-3-27-17-10-8-16(9-11-17)23-21-22(24-20(29-21)19-5-4-14-28-19)30(25,26)18-12-6-15(2)7-13-18/h4-14,23H,3H2,1-2H3
• InChIKey: XHRHSKIOBZLIFT-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 94.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18826375) is N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

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

The canonical SMILES for N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is CCOc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1.

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

The InChIKey is XHRHSKIOBZLIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-3-27-17-10-8-16(9-11-17)23-21-22(24-20(29-21)19-5-4-14-28-19)30(25,26)18-12-6-15(2)7-13-18/h4-14,23H,3H2,1-2H3.

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

N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 424.48 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).