4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine

C27H28FN3O3S2 — CID 171336612

About 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine

4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine (PubChem CID 171336612) has the molecular formula C27H28FN3O3S2 and a molecular weight of 525.67 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine
• PubChem CID: 171336612
• Molecular Formula: C27H28FN3O3S2
• Molecular Weight: 525.67 g/mol
• Exact Mass: 525.16
• IUPAC Name: 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine
• SMILES: Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCC(c3cccs3)N3CCCCC3)o2)cc1
• InChI: InChI=1S/C27H28FN3O3S2/c1-19-7-9-20(10-8-19)25-30-27(36(32,33)22-13-11-21(28)12-14-22)26(34-25)29-18-23(24-6-5-17-35-24)31-15-3-2-4-16-31/h5-14,17,23,29H,2-4,15-16,18H2,1H3
• InChIKey: SCZDZKNARFTGOF-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.67
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine?

The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine (CID 171336612) is 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine.

What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine?

The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine is Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCC(c3cccs3)N3CCCCC3)o2)cc1.

What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine?

The InChIKey is SCZDZKNARFTGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3S2/c1-19-7-9-20(10-8-19)25-30-27(36(32,33)22-13-11-21(28)12-14-22)26(34-25)29-18-23(24-6-5-17-35-24)31-15-3-2-4-16-31/h5-14,17,23,29H,2-4,15-16,18H2,1H3.

What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine?

4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine has a molecular weight of 525.67 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 171336612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).