5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine

C10H11ClN2O — CID 84678071

IUPAC5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)Cc1nc2ccc(Cl)nc2o1
InChIInChI=1S/C10H11ClN2O/c1-6(2)5-9-12-7-3-4-8(11)13-10(7)14-9/h3-4,6H,5H2,1-2H3
InChIKeyBYLHXEXEFWILIJ-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.07
Rot. Bonds2

About 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine

5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 84678071) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID84678071
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)Cc1nc2ccc(Cl)nc2o1
InChIInChI=1S/C10H11ClN2O/c1-6(2)5-9-12-7-3-4-8(11)13-10(7)14-9/h3-4,6H,5H2,1-2H3
InChIKeyBYLHXEXEFWILIJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine (CID 84678071) is 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine is CC(C)Cc1nc2ccc(Cl)nc2o1.
What is the InChIKey of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is BYLHXEXEFWILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6(2)5-9-12-7-3-4-8(11)13-10(7)14-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 210.66 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 84678071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).