N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide

C28H24N2O3S2 — CID 71083133

About N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide

N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide (PubChem CID 71083133) has the molecular formula C28H24N2O3S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide
• PubChem CID: 71083133
• Molecular Formula: C28H24N2O3S2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.12
• IUPAC Name: N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1cccc(CNC(=O)c2ccc(-c3cccs3)s2)c1
• InChI: InChI=1S/C28H24N2O3S2/c1-19-23(30-28(33-19)21-8-3-2-4-9-21)14-15-32-22-10-5-7-20(17-22)18-29-27(31)26-13-12-25(35-26)24-11-6-16-34-24/h2-13,16-17H,14-15,18H2,1H3,(H,29,31)
• InChIKey: HBYAQXFUUASGFC-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide?

The IUPAC name of N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide (CID 71083133) is N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide.

What is the SMILES notation for N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide?

The canonical SMILES for N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide is Cc1oc(-c2ccccc2)nc1CCOc1cccc(CNC(=O)c2ccc(-c3cccs3)s2)c1.

What is the InChIKey of N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide?

The InChIKey is HBYAQXFUUASGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3S2/c1-19-23(30-28(33-19)21-8-3-2-4-9-21)14-15-32-22-10-5-7-20(17-22)18-29-27(31)26-13-12-25(35-26)24-11-6-16-34-24/h2-13,16-17H,14-15,18H2,1H3,(H,29,31).

What are the key properties of N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide?

N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide has a molecular weight of 500.65 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 71083133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).