methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

C16H16N2O7S — CID 53051909

About methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 53051909) has the molecular formula C16H16N2O7S and a molecular weight of 380.38 g/mol. Its IUPAC name is methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
• PubChem CID: 53051909
• Molecular Formula: C16H16N2O7S
• Molecular Weight: 380.38 g/mol
• Exact Mass: 380.07
• IUPAC Name: methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
• SMILES: COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(C)o3)ccc21
• InChI: InChI=1S/C16H16N2O7S/c1-10-3-4-11(24-10)8-17-26(21,22)12-5-6-13-14(7-12)25-16(20)18(13)9-15(19)23-2/h3-7,17H,8-9H2,1-2H3
• InChIKey: IKONNWVWASVJHL-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 120.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.38
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?

The IUPAC name of methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 53051909) is methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

What is the SMILES notation for methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?

The canonical SMILES for methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccc(C)o3)ccc21.

What is the InChIKey of methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?

The InChIKey is IKONNWVWASVJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O7S/c1-10-3-4-11(24-10)8-17-26(21,22)12-5-6-13-14(7-12)25-16(20)18(13)9-15(19)23-2/h3-7,17H,8-9H2,1-2H3.

What are the key properties of methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?

methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 380.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 53051909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).