(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine

C8H15NO2 — CID 134894766

IUPAC(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
SMILESCOC1CCC[C@H]2COCN12
InChIInChI=1S/C8H15NO2/c1-10-8-4-2-3-7-5-11-6-9(7)8/h7-8H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeySVYRSFXYWKMRBW-JAMMHHFISA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds1

About (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine

(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 134894766) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
PubChem CID134894766
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
SMILESCOC1CCC[C@H]2COCN12
InChIInChI=1S/C8H15NO2/c1-10-8-4-2-3-7-5-11-6-9(7)8/h7-8H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeySVYRSFXYWKMRBW-JAMMHHFISA-N
XLogP0.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine with MolForge

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Related Compounds

2-Oxaindolizidine
CID 335668
3H-Oxazolo[3, hexahydro-1-methyl-
CID 335669
(8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 637982
(4S,5S,8aS)-4-methyl-5-oxido-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-5-ium
CID 11321097
3,3-Difluoro-6-methyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 177326543
5-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 337248
3,5-dimethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 57821165
(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 66669454
8-Ethyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 68238255
1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-,(4S,8aS)-(9CI)
CID 75089140
3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
CID 76220615
3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 77160556

Frequently Asked Questions

What is the IUPAC name of (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine (CID 134894766) is (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine is COC1CCC[C@H]2COCN12.
What is the InChIKey of (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is SVYRSFXYWKMRBW-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO2/c1-10-8-4-2-3-7-5-11-6-9(7)8/h7-8H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 157.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 134894766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).