6-(18F)fluoro-3-methyl-1,2-benzoxazole

C8H6FNO — CID 129087270

IUPAC6-(18F)fluoro-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc([18F])ccc12
InChIInChI=1S/C8H6FNO/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3/i9-1
InChIKeyAZTCUAJRDGGWPK-RVRFMXCPSA-N
MW150.14 g/mol
LogP2.28
Rot. Bonds

About 6-(18F)fluoro-3-methyl-1,2-benzoxazole

6-(18F)fluoro-3-methyl-1,2-benzoxazole (PubChem CID 129087270) has the molecular formula C8H6FNO and a molecular weight of 150.14 g/mol. Its IUPAC name is 6-(18F)fluoro-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-(18F)fluoro-3-methyl-1,2-benzoxazole
PubChem CID129087270
Molecular FormulaC8H6FNO
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name6-(18F)fluoro-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc([18F])ccc12
InChIInChI=1S/C8H6FNO/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3/i9-1
InChIKeyAZTCUAJRDGGWPK-RVRFMXCPSA-N
XLogP2.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(18F)fluoro-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-(18F)fluoro-3-methyl-1,2-benzoxazole (CID 129087270) is 6-(18F)fluoro-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-(18F)fluoro-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-(18F)fluoro-3-methyl-1,2-benzoxazole is Cc1noc2cc([18F])ccc12.
What is the InChIKey of 6-(18F)fluoro-3-methyl-1,2-benzoxazole?
The InChIKey is AZTCUAJRDGGWPK-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H6FNO/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3/i9-1.
What are the key properties of 6-(18F)fluoro-3-methyl-1,2-benzoxazole?
6-(18F)fluoro-3-methyl-1,2-benzoxazole has a molecular weight of 150.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(18F)fluoro-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 129087270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).