6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole

C9H8FNO2 — CID 58817535

IUPAC6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole
SMILESCOc1c(F)ccc2c(C)noc12
InChIInChI=1S/C9H8FNO2/c1-5-6-3-4-7(10)9(12-2)8(6)13-11-5/h3-4H,1-2H3
InChIKeyWJZMQUMFEFKROK-UHFFFAOYSA-N
MW181.17 g/mol
LogP2.28
Rot. Bonds1

About 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole

6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole (PubChem CID 58817535) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole
PubChem CID58817535
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole
SMILESCOc1c(F)ccc2c(C)noc12
InChIInChI=1S/C9H8FNO2/c1-5-6-3-4-7(10)9(12-2)8(6)13-11-5/h3-4H,1-2H3
InChIKeyWJZMQUMFEFKROK-UHFFFAOYSA-N
XLogP2.28
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole (CID 58817535) is 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole is COc1c(F)ccc2c(C)noc12.
What is the InChIKey of 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole?
The InChIKey is WJZMQUMFEFKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-5-6-3-4-7(10)9(12-2)8(6)13-11-5/h3-4H,1-2H3.
What are the key properties of 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole?
6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole has a molecular weight of 181.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 58817535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).