2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine

C16H11N3O — CID 15644514

IUPAC2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccnc2ccc(-c3nc4ncccc4o3)cc12
InChIInChI=1S/C16H11N3O/c1-10-6-8-17-13-5-4-11(9-12(10)13)16-19-15-14(20-16)3-2-7-18-15/h2-9H,1H3
InChIKeyHGFBHUOOTPLAOI-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.75
Rot. Bonds1

About 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine

2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 15644514) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID15644514
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCc1ccnc2ccc(-c3nc4ncccc4o3)cc12
InChIInChI=1S/C16H11N3O/c1-10-6-8-17-13-5-4-11(9-12(10)13)16-19-15-14(20-16)3-2-7-18-15/h2-9H,1H3
InChIKeyHGFBHUOOTPLAOI-UHFFFAOYSA-N
XLogP3.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 15644514) is 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine is Cc1ccnc2ccc(-c3nc4ncccc4o3)cc12.
What is the InChIKey of 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is HGFBHUOOTPLAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-10-6-8-17-13-5-4-11(9-12(10)13)16-19-15-14(20-16)3-2-7-18-15/h2-9H,1H3.
What are the key properties of 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 261.28 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-6-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 15644514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).