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

C27H28N2O5S — CID 18826141

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

2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18826141) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: 2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
• PubChem CID: 18826141
• Molecular Formula: C27H28N2O5S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.17
• IUPAC Name: 2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
• SMILES: CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCc3ccc(OC)cc3)o2)cc1
• InChI: InChI=1S/C27H28N2O5S/c1-4-33-23-13-9-21(10-14-23)25-29-27(35(30,31)24-15-5-19(2)6-16-24)26(34-25)28-18-17-20-7-11-22(32-3)12-8-20/h5-16,28H,4,17-18H2,1-3H3
• InChIKey: ZXVHVCDAEJIXEZ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18826141) is 2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

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

The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCc3ccc(OC)cc3)o2)cc1.

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

The InChIKey is ZXVHVCDAEJIXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-4-33-23-13-9-21(10-14-23)25-29-27(35(30,31)24-15-5-19(2)6-16-24)26(34-25)28-18-17-20-7-11-22(32-3)12-8-20/h5-16,28H,4,17-18H2,1-3H3.

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

2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 492.60 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).