6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine

C13H10N2O — CID 12531346

IUPAC6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C13H10N2O/c1-9-7-11-13(14-8-9)16-12(15-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAKSLYQSXZULZHV-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.20
Rot. Bonds1

About 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine

6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 12531346) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID12531346
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C13H10N2O/c1-9-7-11-13(14-8-9)16-12(15-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAKSLYQSXZULZHV-UHFFFAOYSA-N
XLogP3.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine (CID 12531346) is 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine is Cc1cnc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is AKSLYQSXZULZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-7-11-13(14-8-9)16-12(15-11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine?
6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 210.24 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 12531346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).