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

C16H15N3O6S — CID 53051804

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

methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 53051804) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
• PubChem CID: 53051804
• Molecular Formula: C16H15N3O6S
• Molecular Weight: 377.38 g/mol
• Exact Mass: 377.07
• IUPAC Name: methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
• SMILES: COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cn3)ccc21
• InChI: InChI=1S/C16H15N3O6S/c1-10-3-6-14(17-8-10)18-26(22,23)11-4-5-12-13(7-11)25-16(21)19(12)9-15(20)24-2/h3-8H,9H2,1-2H3,(H,17,18)
• InChIKey: SQVCMCQRUREOMF-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 120.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.38
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 53051804) is methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

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

The canonical SMILES for methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C)cn3)ccc21.

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

The InChIKey is SQVCMCQRUREOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-10-3-6-14(17-8-10)18-26(22,23)11-4-5-12-13(7-11)25-16(21)19(12)9-15(20)24-2/h3-8H,9H2,1-2H3,(H,17,18).

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

methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 377.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 53051804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).