5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole

C19H14FNO3S — CID 67331340

IUPAC5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc4cc(F)ccc4c3)nc2c1
InChIInChI=1S/C19H14FNO3S/c1-2-25(22,23)16-7-8-18-17(11-16)21-19(24-18)14-4-3-13-10-15(20)6-5-12(13)9-14/h3-11H,2H2,1H3
InChIKeyRJRXQQUGIBKCBN-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.58
Rot. Bonds3

About 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole

5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole (PubChem CID 67331340) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole
PubChem CID67331340
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Name5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc4cc(F)ccc4c3)nc2c1
InChIInChI=1S/C19H14FNO3S/c1-2-25(22,23)16-7-8-18-17(11-16)21-19(24-18)14-4-3-13-10-15(20)6-5-12(13)9-14/h3-11H,2H2,1H3
InChIKeyRJRXQQUGIBKCBN-UHFFFAOYSA-N
XLogP4.58
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole
CID 25211317
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
2-chloro-5-ethylsulfonyl-1,3-benzoxazole
CID 58906316
5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole
CID 53238599
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide
CID 83282582
2-(4-butoxyphenyl)-5-[[2-(4-butoxyphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 135294656
[4-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-2-nitrophenyl] 2-(trifluoromethoxy)benzenesulfonate
CID 83273698
[4-(5-methylsulfonyl-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81422815
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole
CID 9447030
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole (CID 67331340) is 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(-c3ccc4cc(F)ccc4c3)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole?
The InChIKey is RJRXQQUGIBKCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-2-25(22,23)16-7-8-18-17(11-16)21-19(24-18)14-4-3-13-10-15(20)6-5-12(13)9-14/h3-11H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole?
5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole has a molecular weight of 355.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 67331340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).