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

C9H12FNO3 — CID 84776138

IUPAC3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid
SMILESCC(C)(F)c1cnc(CCC(=O)O)o1
InChIInChI=1S/C9H12FNO3/c1-9(2,10)6-5-11-7(14-6)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyJVNNZMYYGHEIEK-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.90
Rot. Bonds4

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

3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid (PubChem CID 84776138) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid
PubChem CID84776138
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid
SMILESCC(C)(F)c1cnc(CCC(=O)O)o1
InChIInChI=1S/C9H12FNO3/c1-9(2,10)6-5-11-7(14-6)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyJVNNZMYYGHEIEK-UHFFFAOYSA-N
XLogP1.90
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid (CID 84776138) is 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid is CC(C)(F)c1cnc(CCC(=O)O)o1.
What is the InChIKey of 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is JVNNZMYYGHEIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-9(2,10)6-5-11-7(14-6)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid?
3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 201.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 84776138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).