3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

C10H19NO — CID 135081203

IUPAC3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC(C)C1COC2CCCCN21
InChIInChI=1S/C10H19NO/c1-8(2)9-7-12-10-5-3-4-6-11(9)10/h8-10H,3-7H2,1-2H3
InChIKeyHUFOLUUKXFQJCQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds1

About 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine

3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 135081203) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID135081203
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCC(C)C1COC2CCCCN21
InChIInChI=1S/C10H19NO/c1-8(2)9-7-12-10-5-3-4-6-11(9)10/h8-10H,3-7H2,1-2H3
InChIKeyHUFOLUUKXFQJCQ-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 54448419
(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
CID 146618209
(7S,8aR)-7-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 21677232
(6S,8aR)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 21677230
(6S,8aS)-6-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 21677231
7-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 57748772
3,5-dimethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 57821165
3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 58530859
3-Methyl-3-(2-methylpropyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine
CID 59371118
(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 66669454
7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 68029557
(7S,8aS)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 70265509

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 135081203) is 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is CC(C)C1COC2CCCCN21.
What is the InChIKey of 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is HUFOLUUKXFQJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9-7-12-10-5-3-4-6-11(9)10/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine?
3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 135081203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).