ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate

C15H18N2O7S — CID 71857793

IUPACethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)n1
InChIInChI=1S/C15H18N2O7S/c1-5-23-14(18)10-8-24-15(16-10)17-25(19,20)13-7-12(22-4)11(21-3)6-9(13)2/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyFJZRHLTVKHRSPV-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.98
Rot. Bonds7

About ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate

ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate (PubChem CID 71857793) has the molecular formula C15H18N2O7S and a molecular weight of 370.38 g/mol. Its IUPAC name is ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
PubChem CID71857793
Molecular FormulaC15H18N2O7S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Nameethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)n1
InChIInChI=1S/C15H18N2O7S/c1-5-23-14(18)10-8-24-15(16-10)17-25(19,20)13-7-12(22-4)11(21-3)6-9(13)2/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyFJZRHLTVKHRSPV-UHFFFAOYSA-N
XLogP1.98
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563734
ethyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 84563770
ethyl 2-[(2-methyl-2-methylsulfonylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377340
ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
CID 2236611
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
ethyl 2-(3,3-dimethylbutan-2-ylamino)-1,3-oxazole-4-carboxylate
CID 104828592
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylate
CID 53404549
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79027360
ethyl 2-[(3-chloro-4-methylsulfonylphenyl)methylamino]-1,3-oxazole-4-carboxylate
CID 146092575
ethyl 2-(2,3,5,6-tetrafluoroanilino)-1,3-oxazole-4-carboxylate
CID 107645105
ethyl 2-(3-methylsulfinylbutylamino)-1,3-oxazole-4-carboxylate
CID 113490540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate (CID 71857793) is ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(NS(=O)(=O)c2cc(OC)c(OC)cc2C)n1.
What is the InChIKey of ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
The InChIKey is FJZRHLTVKHRSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O7S/c1-5-23-14(18)10-8-24-15(16-10)17-25(19,20)13-7-12(22-4)11(21-3)6-9(13)2/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate?
ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate has a molecular weight of 370.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71857793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).