[(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol

C16H19FN2O2 — CID 169034090

IUPAC[(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol
SMILESCC(C)c1c(-c2ccccc2F)nn2c1O[C@H](CO)CC2
InChIInChI=1S/C16H19FN2O2/c1-10(2)14-15(12-5-3-4-6-13(12)17)18-19-8-7-11(9-20)21-16(14)19/h3-6,10-11,20H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyGZHLUWWIGLJSTI-NSHDSACASA-N
MW290.34 g/mol
LogP2.96
Rot. Bonds3

About [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol

[(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol (PubChem CID 169034090) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol
PubChem CID169034090
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name[(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol
SMILESCC(C)c1c(-c2ccccc2F)nn2c1O[C@H](CO)CC2
InChIInChI=1S/C16H19FN2O2/c1-10(2)14-15(12-5-3-4-6-13(12)17)18-19-8-7-11(9-20)21-16(14)19/h3-6,10-11,20H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyGZHLUWWIGLJSTI-NSHDSACASA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
CID 166939900
ethyl 2-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939061
(5S)-N-[(3S)-9-fluoro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-(2-fluorophenyl)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 167529292
(5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166940148
(5R)-2-(2-fluoro-5-methyl-3-pyridinyl)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 169034144
(5R)-2-(2,6-difluorophenyl)-5-(hydroxymethyl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 167529111
1-[5-[(5R)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-2-pyridinyl]propan-2-ol
CID 169034074
5-[(5S)-5-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]-N-propan-2-ylpyridin-2-amine
CID 169034139
(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 169034179
1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine
CID 117212035
N-deuterio-2-(2-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 175869935
[(4R,5R)-2-(2-fluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 11550240

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol?
The IUPAC name of [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol (CID 169034090) is [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol.
What is the SMILES notation for [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol?
The canonical SMILES for [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol is CC(C)c1c(-c2ccccc2F)nn2c1O[C@H](CO)CC2.
What is the InChIKey of [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol?
The InChIKey is GZHLUWWIGLJSTI-NSHDSACASA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10(2)14-15(12-5-3-4-6-13(12)17)18-19-8-7-11(9-20)21-16(14)19/h3-6,10-11,20H,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol?
[(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol has a molecular weight of 290.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-(2-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-5-yl]methanol is sourced from PubChem (CID 169034090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).