(5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C12H21NO3 — CID 10823183

IUPAC(5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCCC[C@H](O)C[C@@H]1CCC[C@H]2COC(=O)N21
InChIInChI=1S/C12H21NO3/c1-2-4-11(14)7-9-5-3-6-10-8-16-12(15)13(9)10/h9-11,14H,2-8H2,1H3/t9-,10-,11-/m0/s1
InChIKeyAILMUPYVIQOTPR-DCAQKATOSA-N
MW227.30 g/mol
LogP1.91
Rot. Bonds4

About (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

(5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 10823183) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID10823183
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCCC[C@H](O)C[C@@H]1CCC[C@H]2COC(=O)N21
InChIInChI=1S/C12H21NO3/c1-2-4-11(14)7-9-5-3-6-10-8-16-12(15)13(9)10/h9-11,14H,2-8H2,1H3/t9-,10-,11-/m0/s1
InChIKeyAILMUPYVIQOTPR-DCAQKATOSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one 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 (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 10823183) is (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CCC[C@H](O)C[C@@H]1CCC[C@H]2COC(=O)N21.
What is the InChIKey of (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is AILMUPYVIQOTPR-DCAQKATOSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-4-11(14)7-9-5-3-6-10-8-16-12(15)13(9)10/h9-11,14H,2-8H2,1H3/t9-,10-,11-/m0/s1.
What are the key properties of (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 227.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8aS)-5-[(2S)-2-hydroxypentyl]-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 10823183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).