(2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine

C8H15NO — CID 11126360

IUPAC(2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
SMILESC[C@H]1C[C@@H]2CCCCN2O1
InChIInChI=1S/C8H15NO/c1-7-6-8-4-2-3-5-9(8)10-7/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyXYCGUUGFJYSRJX-YUMQZZPRSA-N
MW141.21 g/mol
LogP1.56
Rot. Bonds

About (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine

(2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine (PubChem CID 11126360) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine.

Molecular Properties

Compound Name(2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
PubChem CID11126360
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
SMILESC[C@H]1C[C@@H]2CCCCN2O1
InChIInChI=1S/C8H15NO/c1-7-6-8-4-2-3-5-9(8)10-7/h7-8H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyXYCGUUGFJYSRJX-YUMQZZPRSA-N
XLogP1.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The IUPAC name of (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine (CID 11126360) is (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine.
What is the SMILES notation for (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The canonical SMILES for (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine is C[C@H]1C[C@@H]2CCCCN2O1.
What is the InChIKey of (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The InChIKey is XYCGUUGFJYSRJX-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-6-8-4-2-3-5-9(8)10-7/h7-8H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
(2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine has a molecular weight of 141.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS)-2-methyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine is sourced from PubChem (CID 11126360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).