[2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate

C16H15N3O6S — CID 12890321

IUPAC[2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate
SMILESCC(=O)OC1=C(C(=O)Nc2cc(C)on2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C16H15N3O6S/c1-9-8-13(18-25-9)17-16(21)14-15(24-10(2)20)11-6-4-5-7-12(11)26(22,23)19(14)3/h4-8H,1-3H3,(H,17,18,21)
InChIKeyLNHCWBJYQRVOTI-UHFFFAOYSA-N
MW377.38 g/mol
LogP1.49
Rot. Bonds3

About [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate

[2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate (PubChem CID 12890321) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate.

Molecular Properties

Compound Name[2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate
PubChem CID12890321
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC Name[2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate
SMILESCC(=O)OC1=C(C(=O)Nc2cc(C)on2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C16H15N3O6S/c1-9-8-13(18-25-9)17-16(21)14-15(24-10(2)20)11-6-4-5-7-12(11)26(22,23)19(14)3/h4-8H,1-3H3,(H,17,18,21)
InChIKeyLNHCWBJYQRVOTI-UHFFFAOYSA-N
XLogP1.49
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate?
The IUPAC name of [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate (CID 12890321) is [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate.
What is the SMILES notation for [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate?
The canonical SMILES for [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate is CC(=O)OC1=C(C(=O)Nc2cc(C)on2)N(C)S(=O)(=O)c2ccccc21.
What is the InChIKey of [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate?
The InChIKey is LNHCWBJYQRVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-9-8-13(18-25-9)17-16(21)14-15(24-10(2)20)11-6-4-5-7-12(11)26(22,23)19(14)3/h4-8H,1-3H3,(H,17,18,21).
What are the key properties of [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate?
[2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate has a molecular weight of 377.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxo-1lambda6,2-benzothiazin-4-yl] acetate is sourced from PubChem (CID 12890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).