6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid

C9H12FN3O3 — CID 146303880

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid
SMILESO=C(O)N(CCF)C1COc2ccnn2C1
InChIInChI=1S/C9H12FN3O3/c10-2-4-12(9(14)15)7-5-13-8(16-6-7)1-3-11-13/h1,3,7H,2,4-6H2,(H,14,15)
InChIKeyCQIRBFBRLIJCCX-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.59
Rot. Bonds3

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid (PubChem CID 146303880) has the molecular formula C9H12FN3O3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid
PubChem CID146303880
Molecular FormulaC9H12FN3O3
Molecular Weight229.21 g/mol
Exact Mass229.09
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid
SMILESO=C(O)N(CCF)C1COc2ccnn2C1
InChIInChI=1S/C9H12FN3O3/c10-2-4-12(9(14)15)7-5-13-8(16-6-7)1-3-11-13/h1,3,7H,2,4-6H2,(H,14,15)
InChIKeyCQIRBFBRLIJCCX-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid (CID 146303880) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid is O=C(O)N(CCF)C1COc2ccnn2C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid?
The InChIKey is CQIRBFBRLIJCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3/c10-2-4-12(9(14)15)7-5-13-8(16-6-7)1-3-11-13/h1,3,7H,2,4-6H2,(H,14,15).
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid has a molecular weight of 229.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl(2-fluoroethyl)carbamic acid is sourced from PubChem (CID 146303880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).