6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C12H19FN2O — CID 159276308

IUPAC6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCC(CCCF)C2
InChIInChI=1S/C12H19FN2O/c1-9(2)11-6-14-15-7-10(4-3-5-13)8-16-12(11)15/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeySRSNQBRKEOIDCV-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.76
Rot. Bonds4

About 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 159276308) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID159276308
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1cnn2c1OCC(CCCF)C2
InChIInChI=1S/C12H19FN2O/c1-9(2)11-6-14-15-7-10(4-3-5-13)8-16-12(11)15/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeySRSNQBRKEOIDCV-UHFFFAOYSA-N
XLogP2.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole
CID 118345077
(6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 138579720
3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146611004
3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146612982
6-fluoro-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146618025
1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole
CID 150511795
N-(2-fluoroethyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
CID 153086536
1-(2,2-Difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine
CID 153499379
3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 153588507
(6R)-3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166008168
6-fluoro-3-[2-[(6S)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166904877
6,6-Difluoro-3-propan-2-yl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750902

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 159276308) is 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)c1cnn2c1OCC(CCCF)C2.
What is the InChIKey of 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is SRSNQBRKEOIDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(2)11-6-14-15-7-10(4-3-5-13)8-16-12(11)15/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 226.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 159276308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).