5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide

C14H15FN2O4S — CID 74232862

IUPAC5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN2O4S/c1-2-11-9-13(17-21-11)14(18)16-7-8-22(19,20)12-5-3-10(15)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,16,18)
InChIKeyMZMXQVGKPNQIAZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.58
Rot. Bonds6

About 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide

5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 74232862) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide
PubChem CID74232862
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN2O4S/c1-2-11-9-13(17-21-11)14(18)16-7-8-22(19,20)12-5-3-10(15)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,16,18)
InChIKeyMZMXQVGKPNQIAZ-UHFFFAOYSA-N
XLogP1.58
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide (CID 74232862) is 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MZMXQVGKPNQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-2-11-9-13(17-21-11)14(18)16-7-8-22(19,20)12-5-3-10(15)4-6-12/h3-6,9H,2,7-8H2,1H3,(H,16,18).
What are the key properties of 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 74232862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).