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

C9H8FNOS — CID 154555780

IUPAC6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole
SMILESCSc1cc2c(C)noc2cc1F
InChIInChI=1S/C9H8FNOS/c1-5-6-3-9(13-2)7(10)4-8(6)12-11-5/h3-4H,1-2H3
InChIKeyCMYONEIAEIUGNH-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.00
Rot. Bonds1

About 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole

6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole (PubChem CID 154555780) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole
PubChem CID154555780
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole
SMILESCSc1cc2c(C)noc2cc1F
InChIInChI=1S/C9H8FNOS/c1-5-6-3-9(13-2)7(10)4-8(6)12-11-5/h3-4H,1-2H3
InChIKeyCMYONEIAEIUGNH-UHFFFAOYSA-N
XLogP3.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole (CID 154555780) is 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole is CSc1cc2c(C)noc2cc1F.
What is the InChIKey of 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole?
The InChIKey is CMYONEIAEIUGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-5-6-3-9(13-2)7(10)4-8(6)12-11-5/h3-4H,1-2H3.
What are the key properties of 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole?
6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole has a molecular weight of 197.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-5-methylsulfanyl-1,2-benzoxazole is sourced from PubChem (CID 154555780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).