6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

C7H9FN2O — CID 163323752

IUPAC6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC1(F)COc2ccnn2C1
InChIInChI=1S/C7H9FN2O/c1-7(8)4-10-6(11-5-7)2-3-9-10/h2-3H,4-5H2,1H3
InChIKeyOHTMGRVCFJLARX-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.00
Rot. Bonds

About 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (PubChem CID 163323752) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
PubChem CID163323752
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC1(F)COc2ccnn2C1
InChIInChI=1S/C7H9FN2O/c1-7(8)4-10-6(11-5-7)2-3-9-10/h2-3H,4-5H2,1H3
InChIKeyOHTMGRVCFJLARX-UHFFFAOYSA-N
XLogP1.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (CID 163323752) is 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is CC1(F)COc2ccnn2C1.
What is the InChIKey of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The InChIKey is OHTMGRVCFJLARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-7(8)4-10-6(11-5-7)2-3-9-10/h2-3H,4-5H2,1H3.
What are the key properties of 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine has a molecular weight of 156.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 163323752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).