2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine

C17H16N2O2 — CID 21450347

IUPAC2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cc(-c2nc3ncccc3o2)cc2c1CCCC2
InChIInChI=1S/C17H16N2O2/c1-20-15-10-12(9-11-5-2-3-6-13(11)15)17-19-16-14(21-17)7-4-8-18-16/h4,7-10H,2-3,5-6H2,1H3
InChIKeyCWKJNDHWRSVFCA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.78
Rot. Bonds2

About 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine

2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 21450347) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID21450347
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1cc(-c2nc3ncccc3o2)cc2c1CCCC2
InChIInChI=1S/C17H16N2O2/c1-20-15-10-12(9-11-5-2-3-6-13(11)15)17-19-16-14(21-17)7-4-8-18-16/h4,7-10H,2-3,5-6H2,1H3
InChIKeyCWKJNDHWRSVFCA-UHFFFAOYSA-N
XLogP3.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 21450347) is 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine is COc1cc(-c2nc3ncccc3o2)cc2c1CCCC2.
What is the InChIKey of 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is CWKJNDHWRSVFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-10-12(9-11-5-2-3-6-13(11)15)17-19-16-14(21-17)7-4-8-18-16/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 280.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 21450347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).