N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C19H16N2O5S — CID 119101192

About N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 119101192) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• PubChem CID: 119101192
• Molecular Formula: C19H16N2O5S
• Molecular Weight: 384.41 g/mol
• Exact Mass: 384.08
• IUPAC Name: N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• SMILES: O=C(Cn1c(=O)oc2ccccc21)NCC(O)(c1ccoc1)c1cccs1
• InChI: InChI=1S/C19H16N2O5S/c22-17(10-21-14-4-1-2-5-15(14)26-18(21)23)20-12-19(24,13-7-8-25-11-13)16-6-3-9-27-16/h1-9,11,24H,10,12H2,(H,20,22)
• InChIKey: CTXPJGWFJKRPFG-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 97.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.41
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 119101192) is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NCC(O)(c1ccoc1)c1cccs1.

What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

The InChIKey is CTXPJGWFJKRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-17(10-21-14-4-1-2-5-15(14)26-18(21)23)20-12-19(24,13-7-8-25-11-13)16-6-3-9-27-16/h1-9,11,24H,10,12H2,(H,20,22).

What are the key properties of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 384.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 119101192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).