3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid

C7H6FNO4 — CID 165457748

IUPAC3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2(F)COC2)no1
InChIInChI=1S/C7H6FNO4/c8-7(2-12-3-7)5-1-4(6(10)11)13-9-5/h1H,2-3H2,(H,10,11)
InChIKeyKYTZGOZFRWCSOT-UHFFFAOYSA-N
MW187.13 g/mol
LogP0.57
Rot. Bonds2

About 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid

3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 165457748) has the molecular formula C7H6FNO4 and a molecular weight of 187.13 g/mol. Its IUPAC name is 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID165457748
Molecular FormulaC7H6FNO4
Molecular Weight187.13 g/mol
Exact Mass187.03
IUPAC Name3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2(F)COC2)no1
InChIInChI=1S/C7H6FNO4/c8-7(2-12-3-7)5-1-4(6(10)11)13-9-5/h1H,2-3H2,(H,10,11)
InChIKeyKYTZGOZFRWCSOT-UHFFFAOYSA-N
XLogP0.57
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid (CID 165457748) is 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2(F)COC2)no1.
What is the InChIKey of 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KYTZGOZFRWCSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO4/c8-7(2-12-3-7)5-1-4(6(10)11)13-9-5/h1H,2-3H2,(H,10,11).
What are the key properties of 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 187.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorooxetan-3-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 165457748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).