4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid

C7H8FNO3 — CID 166169944

IUPAC4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(F)c1conc1C(=O)O
InChIInChI=1S/C7H8FNO3/c1-7(2,8)4-3-12-9-5(4)6(10)11/h3H,1-2H3,(H,10,11)
InChIKeyRZJSCBUCGVIZSN-UHFFFAOYSA-N
MW173.14 g/mol
LogP1.58
Rot. Bonds2

About 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid

4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 166169944) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID166169944
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(F)c1conc1C(=O)O
InChIInChI=1S/C7H8FNO3/c1-7(2,8)4-3-12-9-5(4)6(10)11/h3H,1-2H3,(H,10,11)
InChIKeyRZJSCBUCGVIZSN-UHFFFAOYSA-N
XLogP1.58
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid (CID 166169944) is 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid is CC(C)(F)c1conc1C(=O)O.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is RZJSCBUCGVIZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c1-7(2,8)4-3-12-9-5(4)6(10)11/h3H,1-2H3,(H,10,11).
What are the key properties of 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid?
4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 173.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 166169944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).