3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole

C11H11BrN2O2 — CID 112571543

IUPAC3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
SMILESCc1cccc(OCCc2nc(Br)no2)c1
InChIInChI=1S/C11H11BrN2O2/c1-8-3-2-4-9(7-8)15-6-5-10-13-11(12)14-16-10/h2-4,7H,5-6H2,1H3
InChIKeyBGIYTNVDBUKLJE-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.76
Rot. Bonds4

About 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole

3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 112571543) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
PubChem CID112571543
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
SMILESCc1cccc(OCCc2nc(Br)no2)c1
InChIInChI=1S/C11H11BrN2O2/c1-8-3-2-4-9(7-8)15-6-5-10-13-11(12)14-16-10/h2-4,7H,5-6H2,1H3
InChIKeyBGIYTNVDBUKLJE-UHFFFAOYSA-N
XLogP2.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325696
5-[2-(3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957592
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-bromo-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 112571624
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137779
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
4-(3-methylphenoxy)butoxyphosphane;hydrobromide
CID 174049050
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
4-(3-methylphenoxy)butanoyl bromide
CID 21330549

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole (CID 112571543) is 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole is Cc1cccc(OCCc2nc(Br)no2)c1.
What is the InChIKey of 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is BGIYTNVDBUKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-8-3-2-4-9(7-8)15-6-5-10-13-11(12)14-16-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole?
3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 283.12 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112571543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).