5-methoxy-2-pyridin-3-yl-1,3-oxazole

C9H8N2O2 — CID 19612509

IUPAC5-methoxy-2-pyridin-3-yl-1,3-oxazole
SMILESCOc1cnc(-c2cccnc2)o1
InChIInChI=1S/C9H8N2O2/c1-12-8-6-11-9(13-8)7-3-2-4-10-5-7/h2-6H,1H3
InChIKeyZUCQXUXNUMFPLM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.75
Rot. Bonds2

About 5-methoxy-2-pyridin-3-yl-1,3-oxazole

5-methoxy-2-pyridin-3-yl-1,3-oxazole (PubChem CID 19612509) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-2-pyridin-3-yl-1,3-oxazole
PubChem CID19612509
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-methoxy-2-pyridin-3-yl-1,3-oxazole
SMILESCOc1cnc(-c2cccnc2)o1
InChIInChI=1S/C9H8N2O2/c1-12-8-6-11-9(13-8)7-3-2-4-10-5-7/h2-6H,1H3
InChIKeyZUCQXUXNUMFPLM-UHFFFAOYSA-N
XLogP1.75
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-3-yl-1,3-oxazole?
The IUPAC name of 5-methoxy-2-pyridin-3-yl-1,3-oxazole (CID 19612509) is 5-methoxy-2-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-methoxy-2-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 5-methoxy-2-pyridin-3-yl-1,3-oxazole is COc1cnc(-c2cccnc2)o1.
What is the InChIKey of 5-methoxy-2-pyridin-3-yl-1,3-oxazole?
The InChIKey is ZUCQXUXNUMFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-12-8-6-11-9(13-8)7-3-2-4-10-5-7/h2-6H,1H3.
What are the key properties of 5-methoxy-2-pyridin-3-yl-1,3-oxazole?
5-methoxy-2-pyridin-3-yl-1,3-oxazole has a molecular weight of 176.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 19612509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).