[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol

C12H14ClN3O2 — CID 171778085

IUPAC[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc3nc(Cl)ccc3o2)CC1
InChIInChI=1S/C12H14ClN3O2/c13-10-2-1-9-11(14-10)15-12(18-9)16-5-3-8(7-17)4-6-16/h1-2,8,17H,3-7H2
InChIKeyIFJPFYRIFMYNSW-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.08
Rot. Bonds2

About [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol

[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol (PubChem CID 171778085) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
PubChem CID171778085
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc3nc(Cl)ccc3o2)CC1
InChIInChI=1S/C12H14ClN3O2/c13-10-2-1-9-11(14-10)15-12(18-9)16-5-3-8(7-17)4-6-16/h1-2,8,17H,3-7H2
InChIKeyIFJPFYRIFMYNSW-UHFFFAOYSA-N
XLogP2.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol 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 [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol (CID 171778085) is [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol is OCC1CCN(c2nc3nc(Cl)ccc3o2)CC1.
What is the InChIKey of [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol?
The InChIKey is IFJPFYRIFMYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-10-2-1-9-11(14-10)15-12(18-9)16-5-3-8(7-17)4-6-16/h1-2,8,17H,3-7H2.
What are the key properties of [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol?
[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol has a molecular weight of 267.72 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 171778085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).