(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline

C15H20FNO2 — CID 146164468

IUPAC(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
SMILESCC(C)(C)O[C@@H]1C[C@H]2c3cccc(F)c3CCN2O1
InChIInChI=1S/C15H20FNO2/c1-15(2,3)18-14-9-13-11-5-4-6-12(16)10(11)7-8-17(13)19-14/h4-6,13-14H,7-9H2,1-3H3/t13-,14-/m0/s1
InChIKeyJQFQDFQITFNBGZ-KBPBESRZSA-N
MW265.33 g/mol
LogP3.20
Rot. Bonds1

About (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline

(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline (PubChem CID 146164468) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
PubChem CID146164468
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
SMILESCC(C)(C)O[C@@H]1C[C@H]2c3cccc(F)c3CCN2O1
InChIInChI=1S/C15H20FNO2/c1-15(2,3)18-14-9-13-11-5-4-6-12(16)10(11)7-8-17(13)19-14/h4-6,13-14H,7-9H2,1-3H3/t13-,14-/m0/s1
InChIKeyJQFQDFQITFNBGZ-KBPBESRZSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline with MolForge

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Related Compounds

(2S,10bS)-9-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 146164351
2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 154206022
(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 142337386
CID 11020386
CID 11020386
(2S,10bS)-2-ethoxy-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 12014903
(2S,10bS)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 12014904
(2R,10bS)-2-ethoxy-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 93504943
(2S,10bR)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 102250764
(1S,12R)-11,13-dioxa-10-azatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6-triene
CID 134936359
(1R,10bS)-2,2-dimethoxy-1-methyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
CID 134936478
(1S,10bS)-2,2-dimethoxy-1-methyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
CID 134936607
(2R,10bS)-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 134936868

Frequently Asked Questions

What is the IUPAC name of (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The IUPAC name of (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline (CID 146164468) is (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline.
What is the SMILES notation for (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The canonical SMILES for (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline is CC(C)(C)O[C@@H]1C[C@H]2c3cccc(F)c3CCN2O1.
What is the InChIKey of (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The InChIKey is JQFQDFQITFNBGZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2,3)18-14-9-13-11-5-4-6-12(16)10(11)7-8-17(13)19-14/h4-6,13-14H,7-9H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
(2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline has a molecular weight of 265.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10bS)-7-fluoro-2-[(2-methylpropan-2-yl)oxy]-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline is sourced from PubChem (CID 146164468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).