ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate

C16H20N2O5S — CID 84563734

IUPACethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H20N2O5S/c1-5-22-14(19)13-10-23-15(17-13)18-24(20,21)12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyBMTFMJZUZQGZGN-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.95
Rot. Bonds5

About ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate

ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate (PubChem CID 84563734) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
PubChem CID84563734
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Nameethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H20N2O5S/c1-5-22-14(19)13-10-23-15(17-13)18-24(20,21)12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H,17,18)
InChIKeyBMTFMJZUZQGZGN-UHFFFAOYSA-N
XLogP2.95
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-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 ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate (CID 84563734) is ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The InChIKey is BMTFMJZUZQGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-5-22-14(19)13-10-23-15(17-13)18-24(20,21)12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H,17,18).
What are the key properties of ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 84563734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).