2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid

C11H10FNO3 — CID 105480249

IUPAC2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1onc2c(F)cccc12
InChIInChI=1S/C11H10FNO3/c1-11(2,10(14)15)9-6-4-3-5-7(12)8(6)13-16-9/h3-5H,1-2H3,(H,14,15)
InChIKeyYVZUTSAPRHNGNN-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.33
Rot. Bonds2

About 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid

2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid (PubChem CID 105480249) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid
PubChem CID105480249
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1onc2c(F)cccc12
InChIInChI=1S/C11H10FNO3/c1-11(2,10(14)15)9-6-4-3-5-7(12)8(6)13-16-9/h3-5H,1-2H3,(H,14,15)
InChIKeyYVZUTSAPRHNGNN-UHFFFAOYSA-N
XLogP2.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2,1-benzoxazole-3-carboxylic acid
CID 84657689
2-(7-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117123001
3-bromo-7-fluoro-2,1-benzoxazole
CID 105469340
7-fluoro-2,1-benzoxazole-3-carbaldehyde
CID 105432541
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid
CID 117197726
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119169
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 114732727
3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060920
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropanoic acid
CID 167428087

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid (CID 105480249) is 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1onc2c(F)cccc12.
What is the InChIKey of 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid?
The InChIKey is YVZUTSAPRHNGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-11(2,10(14)15)9-6-4-3-5-7(12)8(6)13-16-9/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid?
2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid has a molecular weight of 223.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,1-benzoxazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105480249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).