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

C10H8FNO — CID 129180702

IUPAC6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole
SMILESC=Cc1cc2onc(C)c2cc1F
InChIInChI=1S/C10H8FNO/c1-3-7-4-10-8(5-9(7)11)6(2)12-13-10/h3-5H,1H2,2H3
InChIKeyNADJJBVOBLUQLZ-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.92
Rot. Bonds1

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

6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole (PubChem CID 129180702) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole
PubChem CID129180702
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole
SMILESC=Cc1cc2onc(C)c2cc1F
InChIInChI=1S/C10H8FNO/c1-3-7-4-10-8(5-9(7)11)6(2)12-13-10/h3-5H,1H2,2H3
InChIKeyNADJJBVOBLUQLZ-UHFFFAOYSA-N
XLogP2.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole (CID 129180702) is 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole is C=Cc1cc2onc(C)c2cc1F.
What is the InChIKey of 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole?
The InChIKey is NADJJBVOBLUQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-3-7-4-10-8(5-9(7)11)6(2)12-13-10/h3-5H,1H2,2H3.
What are the key properties of 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole?
6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole has a molecular weight of 177.18 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-fluoro-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 129180702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).