5-fluoro-3-methylsulfanyl-1,2-benzoxazole

C8H6FNOS — CID 123369896

IUPAC5-fluoro-3-methylsulfanyl-1,2-benzoxazole
SMILESCSc1noc2ccc(F)cc12
InChIInChI=1S/C8H6FNOS/c1-12-8-6-4-5(9)2-3-7(6)11-10-8/h2-4H,1H3
InChIKeyLSFXEIITSCPADU-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.69
Rot. Bonds1

About 5-fluoro-3-methylsulfanyl-1,2-benzoxazole

5-fluoro-3-methylsulfanyl-1,2-benzoxazole (PubChem CID 123369896) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-fluoro-3-methylsulfanyl-1,2-benzoxazole.

Molecular Properties

Compound Name5-fluoro-3-methylsulfanyl-1,2-benzoxazole
PubChem CID123369896
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name5-fluoro-3-methylsulfanyl-1,2-benzoxazole
SMILESCSc1noc2ccc(F)cc12
InChIInChI=1S/C8H6FNOS/c1-12-8-6-4-5(9)2-3-7(6)11-10-8/h2-4H,1H3
InChIKeyLSFXEIITSCPADU-UHFFFAOYSA-N
XLogP2.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-(4-fluorophenyl)-1,2-benzoxazole
CID 18357602
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
N'-(5-fluoro-1,2-benzoxazol-3-yl)propane-1,3-diamine
CID 83834388
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate;3-chloro-5-fluoro-1,2-benzoxazole
CID 158106786
3-[2-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanyl]propan-2-yl]-5-fluoro-1,2-benzoxazole
CID 138519500
1-N-(5-fluoro-1,2-benzoxazol-3-yl)-1-N-methylpropane-1,2-diamine
CID 83839045
2-[(5-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
CID 15453992
2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
CID 166430967
3-chloro-5-fluoro-1,2-benzoxazole;5-fluoro-1,2-oxazol-3-one
CID 159933905
5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
6-fluoro-3-(3-methylphenyl)-1,2-benzoxazole
CID 142050356
6-fluoro-3-[(E)-pent-2-en-3-yl]-1,2-benzoxazole
CID 171510306

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylsulfanyl-1,2-benzoxazole?
The IUPAC name of 5-fluoro-3-methylsulfanyl-1,2-benzoxazole (CID 123369896) is 5-fluoro-3-methylsulfanyl-1,2-benzoxazole.
What is the SMILES notation for 5-fluoro-3-methylsulfanyl-1,2-benzoxazole?
The canonical SMILES for 5-fluoro-3-methylsulfanyl-1,2-benzoxazole is CSc1noc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methylsulfanyl-1,2-benzoxazole?
The InChIKey is LSFXEIITSCPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c1-12-8-6-4-5(9)2-3-7(6)11-10-8/h2-4H,1H3.
What are the key properties of 5-fluoro-3-methylsulfanyl-1,2-benzoxazole?
5-fluoro-3-methylsulfanyl-1,2-benzoxazole has a molecular weight of 183.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylsulfanyl-1,2-benzoxazole is sourced from PubChem (CID 123369896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).