2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid

C8H10FNO3 — CID 84770277

IUPAC2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc(CF)o1
InChIInChI=1S/C8H10FNO3/c1-8(2,7(11)12)5-4-10-6(3-9)13-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyVPJQZJSWYWXGPA-UHFFFAOYSA-N
MW187.17 g/mol
LogP1.51
Rot. Bonds3

About 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid

2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid (PubChem CID 84770277) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
PubChem CID84770277
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cnc(CF)o1
InChIInChI=1S/C8H10FNO3/c1-8(2,7(11)12)5-4-10-6(3-9)13-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyVPJQZJSWYWXGPA-UHFFFAOYSA-N
XLogP1.51
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid (CID 84770277) is 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1cnc(CF)o1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The InChIKey is VPJQZJSWYWXGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-8(2,7(11)12)5-4-10-6(3-9)13-5/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid has a molecular weight of 187.17 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84770277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).