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

C10H14FNO3 — CID 84783867

IUPAC2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(F)c1ncc(C(C)(C)C(=O)O)o1
InChIInChI=1S/C10H14FNO3/c1-9(2,8(13)14)6-5-12-7(15-6)10(3,4)11/h5H,1-4H3,(H,13,14)
InChIKeyTUMXBDVNQJCEEL-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.24
Rot. Bonds3

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

2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid (PubChem CID 84783867) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
PubChem CID84783867
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid
SMILESCC(C)(F)c1ncc(C(C)(C)C(=O)O)o1
InChIInChI=1S/C10H14FNO3/c1-9(2,8(13)14)6-5-12-7(15-6)10(3,4)11/h5H,1-4H3,(H,13,14)
InChIKeyTUMXBDVNQJCEEL-UHFFFAOYSA-N
XLogP2.24
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid (CID 84783867) is 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid is CC(C)(F)c1ncc(C(C)(C)C(=O)O)o1.
What is the InChIKey of 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
The InChIKey is TUMXBDVNQJCEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-9(2,8(13)14)6-5-12-7(15-6)10(3,4)11/h5H,1-4H3,(H,13,14).
What are the key properties of 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid?
2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid has a molecular weight of 215.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoropropan-2-yl)-1,3-oxazol-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 84783867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).