4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide

C18H17FN2O4S — CID 19608685

IUPAC4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCc1onc(-c2ccc(OC)c(F)c2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN2O4S/c1-3-15-17(11-4-7-13(8-5-11)26(20,22)23)18(21-25-15)12-6-9-16(24-2)14(19)10-12/h4-10H,3H2,1-2H3,(H2,20,22,23)
InChIKeyMTZZCBYRNOMYHY-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.37
Rot. Bonds5

About 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide

4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 19608685) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID19608685
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCc1onc(-c2ccc(OC)c(F)c2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN2O4S/c1-3-15-17(11-4-7-13(8-5-11)26(20,22)23)18(21-25-15)12-6-9-16(24-2)14(19)10-12/h4-10H,3H2,1-2H3,(H2,20,22,23)
InChIKeyMTZZCBYRNOMYHY-UHFFFAOYSA-N
XLogP3.37
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide (CID 19608685) is 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide is CCc1onc(-c2ccc(OC)c(F)c2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is MTZZCBYRNOMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-3-15-17(11-4-7-13(8-5-11)26(20,22)23)18(21-25-15)12-6-9-16(24-2)14(19)10-12/h4-10H,3H2,1-2H3,(H2,20,22,23).
What are the key properties of 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 19608685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).