(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol

C13H17ClN4O2 — CID 171777991

IUPAC(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
SMILESCCN1C[C@H](O)C[C@@H](Nc2nc3nc(Cl)ccc3o2)C1
InChIInChI=1S/C13H17ClN4O2/c1-2-18-6-8(5-9(19)7-18)15-13-17-12-10(20-13)3-4-11(14)16-12/h3-4,8-9,19H,2,5-7H2,1H3,(H,15,16,17)/t8-,9-/m1/s1
InChIKeyPALCEVFGGCUIQD-RKDXNWHRSA-N
MW296.76 g/mol
LogP1.74
Rot. Bonds3

About (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol

(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol (PubChem CID 171777991) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
PubChem CID171777991
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
SMILESCCN1C[C@H](O)C[C@@H](Nc2nc3nc(Cl)ccc3o2)C1
InChIInChI=1S/C13H17ClN4O2/c1-2-18-6-8(5-9(19)7-18)15-13-17-12-10(20-13)3-4-11(14)16-12/h3-4,8-9,19H,2,5-7H2,1H3,(H,15,16,17)/t8-,9-/m1/s1
InChIKeyPALCEVFGGCUIQD-RKDXNWHRSA-N
XLogP1.74
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol 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 (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol?
The IUPAC name of (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol (CID 171777991) is (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol is CCN1C[C@H](O)C[C@@H](Nc2nc3nc(Cl)ccc3o2)C1.
What is the InChIKey of (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol?
The InChIKey is PALCEVFGGCUIQD-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-2-18-6-8(5-9(19)7-18)15-13-17-12-10(20-13)3-4-11(14)16-12/h3-4,8-9,19H,2,5-7H2,1H3,(H,15,16,17)/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol?
(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol has a molecular weight of 296.76 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol is sourced from PubChem (CID 171777991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).