2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline

C11H13NO — CID 154206022

IUPAC2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
SMILESc1ccc2c(c1)CCN1OCCC21
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)5-7-12-11(10)6-8-13-12/h1-4,11H,5-8H2
InChIKeyKSYUHJAVQFRSDA-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.92
Rot. Bonds

About 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline

2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline (PubChem CID 154206022) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
PubChem CID154206022
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
SMILESc1ccc2c(c1)CCN1OCCC21
InChIInChI=1S/C11H13NO/c1-2-4-10-9(3-1)5-7-12-11(10)6-8-13-12/h1-4,11H,5-8H2
InChIKeyKSYUHJAVQFRSDA-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline with MolForge

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Related Compounds

2-pentoxy-3,4-dihydro-1H-isoquinoline
CID 168294980
(1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
CID 11129915
(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
(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
2-Ethoxy-1,3-dihydroisoindole
CID 119087983
2,2-Difluoro-1-phenyl-1,5,6,10b-tetrahydro-2H-isoxazolo[3,2-a]isoquinoline
CID 379645
(1R)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
CID 6712272
1-(2-methoxyethyl)-2,3-dihydro-1H-isoindole
CID 14491719
(10bR)-9-fluoro-3-(2-methoxyethyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 142337386
CID 11020386
CID 11020386
(3S,4S,10bR)-3-methyl-4-oxido-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-4-ium
CID 11820207
(2S,10bS)-2-ethoxy-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 12014903

Frequently Asked Questions

What is the IUPAC name of 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The IUPAC name of 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline (CID 154206022) is 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline.
What is the SMILES notation for 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The canonical SMILES for 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline is c1ccc2c(c1)CCN1OCCC21.
What is the InChIKey of 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
The InChIKey is KSYUHJAVQFRSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-10-9(3-1)5-7-12-11(10)6-8-13-12/h1-4,11H,5-8H2.
What are the key properties of 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline?
2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline has a molecular weight of 175.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline is sourced from PubChem (CID 154206022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).