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

C7H13NO — CID 637982

IUPAC(8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
SMILESC1CCN2COC[C@H]2C1
InChIInChI=1S/C7H13NO/c1-2-4-8-6-9-5-7(8)3-1/h7H,1-6H2/t7-/m1/s1
InChIKeyHCWAPSMTWACPRW-SSDOTTSWSA-N
MW127.19 g/mol
LogP0.83
Rot. Bonds

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

(8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 637982) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name(8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
PubChem CID637982
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
SMILESC1CCN2COC[C@H]2C1
InChIInChI=1S/C7H13NO/c1-2-4-8-6-9-5-7(8)3-1/h7H,1-6H2/t7-/m1/s1
InChIKeyHCWAPSMTWACPRW-SSDOTTSWSA-N
XLogP0.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8aR)-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
Hexahydro-3H-oxazolo(3,4-a)pyridin-3-one
CID 12679529
Hexahydro-5H-oxazolo(3,2-a)pyridine
CID 10931450
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 54448419
3H-Oxazolo[3, hexahydro-1-methyl-
CID 335669
(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 134894766
1-ethyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 335671
1-hexyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 335672
1-octyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 335673
1,5-dimethyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 337245
5-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 337248
(7S,8aR)-7-methyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 21677232

Frequently Asked Questions

What is the IUPAC name of (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine (CID 637982) is (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine is C1CCN2COC[C@H]2C1.
What is the InChIKey of (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is HCWAPSMTWACPRW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-4-8-6-9-5-7(8)3-1/h7H,1-6H2/t7-/m1/s1.
What are the key properties of (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine?
(8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 127.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 637982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).