3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C6H7FN2O — CID 163602676

IUPAC3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFc1cnn2c1OCCC2
InChIInChI=1S/C6H7FN2O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3H2
InChIKeyGYZZNZSREVGMSO-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.80
Rot. Bonds

About 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 163602676) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID163602676
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFc1cnn2c1OCCC2
InChIInChI=1S/C6H7FN2O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3H2
InChIKeyGYZZNZSREVGMSO-UHFFFAOYSA-N
XLogP0.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 69188689
3-bromo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 84040282
3-iodo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 124155298
3-iodo-6-methyl-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 131285456
3-ethynyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 155819315
(6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 129450636
3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 128964481
4-Fluoro-1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole
CID 140313059
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
1-Ethyl-4-fluoro-5-prop-2-ynoxypyrazole
CID 141420726
5-(Difluoromethoxy)-4-fluoro-1-methylpyrazole
CID 141420737
5-Ethoxy-1-ethyl-4-fluoropyrazole
CID 141420740

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 163602676) is 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Fc1cnn2c1OCCC2.
What is the InChIKey of 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is GYZZNZSREVGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3H2.
What are the key properties of 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 142.13 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 163602676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).