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

C11H15FN2O4 — CID 166654949

IUPAC5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESCC(F)COCC1CCn2nc(C(=O)O)cc2O1
InChIInChI=1S/C11H15FN2O4/c1-7(12)5-17-6-8-2-3-14-10(18-8)4-9(13-14)11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyXQORMEKSCSUMAT-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.11
Rot. Bonds5

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

5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (PubChem CID 166654949) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
PubChem CID166654949
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESCC(F)COCC1CCn2nc(C(=O)O)cc2O1
InChIInChI=1S/C11H15FN2O4/c1-7(12)5-17-6-8-2-3-14-10(18-8)4-9(13-14)11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyXQORMEKSCSUMAT-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The IUPAC name of 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (CID 166654949) is 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is CC(F)COCC1CCn2nc(C(=O)O)cc2O1.
What is the InChIKey of 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The InChIKey is XQORMEKSCSUMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-7(12)5-17-6-8-2-3-14-10(18-8)4-9(13-14)11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid has a molecular weight of 258.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is sourced from PubChem (CID 166654949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).