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

C9H7BrN2O2 — CID 10706164

IUPAC4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole
SMILESCOc1noc(-c2cccnc2)c1Br
InChIInChI=1S/C9H7BrN2O2/c1-13-9-7(10)8(14-12-9)6-3-2-4-11-5-6/h2-5H,1H3
InChIKeyGDAUBNVEDZLVCN-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.51
Rot. Bonds2

About 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole

4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole (PubChem CID 10706164) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole
PubChem CID10706164
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole
SMILESCOc1noc(-c2cccnc2)c1Br
InChIInChI=1S/C9H7BrN2O2/c1-13-9-7(10)8(14-12-9)6-3-2-4-11-5-6/h2-5H,1H3
InChIKeyGDAUBNVEDZLVCN-UHFFFAOYSA-N
XLogP2.51
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole (CID 10706164) is 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole is COc1noc(-c2cccnc2)c1Br.
What is the InChIKey of 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole?
The InChIKey is GDAUBNVEDZLVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-13-9-7(10)8(14-12-9)6-3-2-4-11-5-6/h2-5H,1H3.
What are the key properties of 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole?
4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole has a molecular weight of 255.07 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-5-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 10706164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).