N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide

C13H12F2N2O4S — CID 71969405

IUPACN-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NS(=O)(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C13H12F2N2O4S/c1-3-10-12(16-6-21-10)13(18)17-22(19,20)11-5-8(14)7(2)4-9(11)15/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyDJHQHMHPOIUKIS-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.94
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide

N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 71969405) has the molecular formula C13H12F2N2O4S and a molecular weight of 330.31 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID71969405
Molecular FormulaC13H12F2N2O4S
Molecular Weight330.31 g/mol
Exact Mass330.05
IUPAC NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NS(=O)(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C13H12F2N2O4S/c1-3-10-12(16-6-21-10)13(18)17-22(19,20)11-5-8(14)7(2)4-9(11)15/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyDJHQHMHPOIUKIS-UHFFFAOYSA-N
XLogP1.94
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide (CID 71969405) is N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NS(=O)(=O)c1cc(F)c(C)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is DJHQHMHPOIUKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4S/c1-3-10-12(16-6-21-10)13(18)17-22(19,20)11-5-8(14)7(2)4-9(11)15/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).