(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

C7H7FN2O3 — CID 130366723

IUPAC(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)C[C@H](F)CO2
InChIInChI=1S/C7H7FN2O3/c8-4-2-10-6(13-3-4)1-5(9-10)7(11)12/h1,4H,2-3H2,(H,11,12)/t4-/m0/s1
InChIKeyLIHSITQPOYYGKY-BYPYZUCNSA-N
MW186.14 g/mol
LogP0.31
Rot. Bonds1

About (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (PubChem CID 130366723) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
PubChem CID130366723
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)C[C@H](F)CO2
InChIInChI=1S/C7H7FN2O3/c8-4-2-10-6(13-3-4)1-5(9-10)7(11)12/h1,4H,2-3H2,(H,11,12)/t4-/m0/s1
InChIKeyLIHSITQPOYYGKY-BYPYZUCNSA-N
XLogP0.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The IUPAC name of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (CID 130366723) is (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.
What is the SMILES notation for (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The canonical SMILES for (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is O=C(O)c1cc2n(n1)C[C@H](F)CO2.
What is the InChIKey of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The InChIKey is LIHSITQPOYYGKY-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H7FN2O3/c8-4-2-10-6(13-3-4)1-5(9-10)7(11)12/h1,4H,2-3H2,(H,11,12)/t4-/m0/s1.
What are the key properties of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid has a molecular weight of 186.14 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is sourced from PubChem (CID 130366723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).