2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole

C10H9BrN2O2 — CID 170557804

IUPAC2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole
SMILESCOCc1cc(-c2nnco2)ccc1Br
InChIInChI=1S/C10H9BrN2O2/c1-14-5-8-4-7(2-3-9(8)11)10-13-12-6-15-10/h2-4,6H,5H2,1H3
InChIKeyVAHKFMOYNFLLHC-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.65
Rot. Bonds3

About 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole

2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 170557804) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole
PubChem CID170557804
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole
SMILESCOCc1cc(-c2nnco2)ccc1Br
InChIInChI=1S/C10H9BrN2O2/c1-14-5-8-4-7(2-3-9(8)11)10-13-12-6-15-10/h2-4,6H,5H2,1H3
InChIKeyVAHKFMOYNFLLHC-UHFFFAOYSA-N
XLogP2.65
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole (CID 170557804) is 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole is COCc1cc(-c2nnco2)ccc1Br.
What is the InChIKey of 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is VAHKFMOYNFLLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-14-5-8-4-7(2-3-9(8)11)10-13-12-6-15-10/h2-4,6H,5H2,1H3.
What are the key properties of 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole?
2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 269.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(methoxymethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170557804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).