5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole

C17H14FNO3S — CID 75251707

IUPAC5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(C(F)=Cc3ccccc3)nc2c1
InChIInChI=1S/C17H14FNO3S/c1-2-23(20,21)13-8-9-16-15(11-13)19-17(22-16)14(18)10-12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyWMIZGFNGOZTKBL-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.09
Rot. Bonds4

About 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole

5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole (PubChem CID 75251707) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole
PubChem CID75251707
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(C(F)=Cc3ccccc3)nc2c1
InChIInChI=1S/C17H14FNO3S/c1-2-23(20,21)13-8-9-16-15(11-13)19-17(22-16)14(18)10-12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyWMIZGFNGOZTKBL-UHFFFAOYSA-N
XLogP4.09
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethylsulfonyl-2-[(Z)-1-fluoro-2-phenylethenyl]-1,3-benzoxazole
CID 46912243
2-chloro-5-ethylsulfonyl-1,3-benzoxazole
CID 58906316
2-(4,4-difluorobut-3-enylsulfanyl)-5-ethylsulfonyl-1,3-benzoxazole
CID 19384351
5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole
CID 53238599
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole
CID 9447030
2-[(E)-2-(4-bromophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole
CID 9446993
6-ethylsulfonyl-3-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-1,4-benzoxazin-2-one
CID 135469993
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368
5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole
CID 67331340
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2646333
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2383742
4-[(E)-2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)ethenyl]-2-nitrophenol
CID 135556563

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole?
The IUPAC name of 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole (CID 75251707) is 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole?
The canonical SMILES for 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(C(F)=Cc3ccccc3)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole?
The InChIKey is WMIZGFNGOZTKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-2-23(20,21)13-8-9-16-15(11-13)19-17(22-16)14(18)10-12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole?
5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole has a molecular weight of 331.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-(1-fluoro-2-phenylethenyl)-1,3-benzoxazole is sourced from PubChem (CID 75251707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).