methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate

C11H12N2O5S2 — CID 126839601

IUPACmethyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(C)sc2C)on1
InChIInChI=1S/C11H12N2O5S2/c1-6-4-9(7(2)19-6)20(15,16)13-10-5-8(12-18-10)11(14)17-3/h4-5,13H,1-3H3
InChIKeyWGSNXGMRAVJVNV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.94
Rot. Bonds4

About methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate

methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate (PubChem CID 126839601) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate
PubChem CID126839601
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Namemethyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2cc(C)sc2C)on1
InChIInChI=1S/C11H12N2O5S2/c1-6-4-9(7(2)19-6)20(15,16)13-10-5-8(12-18-10)11(14)17-3/h4-5,13H,1-3H3
InChIKeyWGSNXGMRAVJVNV-UHFFFAOYSA-N
XLogP1.94
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate 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 methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate (CID 126839601) is methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(NS(=O)(=O)c2cc(C)sc2C)on1.
What is the InChIKey of methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate?
The InChIKey is WGSNXGMRAVJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c1-6-4-9(7(2)19-6)20(15,16)13-10-5-8(12-18-10)11(14)17-3/h4-5,13H,1-3H3.
What are the key properties of methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate?
methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 126839601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).