ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate

C15H18N2O6S — CID 84563770

IUPACethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H18N2O6S/c1-4-21-14(18)13-9-22-15(16-13)17-24(19,20)12-7-5-11(6-8-12)23-10(2)3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyIJJYUDABTXZUGS-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.44
Rot. Bonds7

About ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate

ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate (PubChem CID 84563770) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
PubChem CID84563770
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Nameethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H18N2O6S/c1-4-21-14(18)13-9-22-15(16-13)17-24(19,20)12-7-5-11(6-8-12)23-10(2)3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyIJJYUDABTXZUGS-UHFFFAOYSA-N
XLogP2.44
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563734
ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 71857793
ethyl 2-[1-(furan-2-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 113377130
N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126828292
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-[(3-chloro-4-methylsulfonylphenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 146092575
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate (CID 84563770) is ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The InChIKey is IJJYUDABTXZUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-4-21-14(18)13-9-22-15(16-13)17-24(19,20)12-7-5-11(6-8-12)23-10(2)3/h5-10H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate has a molecular weight of 354.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 84563770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).