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

C8H10FNO3 — CID 84770278

IUPAC3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnc(CF)o1)C(=O)O
InChIInChI=1S/C8H10FNO3/c1-5(8(11)12)2-6-4-10-7(3-9)13-6/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWYRYDLAEWYEYRN-UHFFFAOYSA-N
MW187.17 g/mol
LogP1.41
Rot. Bonds4

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

3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid (PubChem CID 84770278) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
PubChem CID84770278
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
SMILESCC(Cc1cnc(CF)o1)C(=O)O
InChIInChI=1S/C8H10FNO3/c1-5(8(11)12)2-6-4-10-7(3-9)13-6/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWYRYDLAEWYEYRN-UHFFFAOYSA-N
XLogP1.41
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid (CID 84770278) is 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid is CC(Cc1cnc(CF)o1)C(=O)O.
What is the InChIKey of 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The InChIKey is WYRYDLAEWYEYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-5(8(11)12)2-6-4-10-7(3-9)13-6/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid has a molecular weight of 187.17 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)-1,3-oxazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84770278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).