5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole

C10H8BrClN2O2 — CID 28941934

IUPAC5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nc(CCl)no2)c1
InChIInChI=1S/C10H8BrClN2O2/c1-15-6-2-3-8(11)7(4-6)10-13-9(5-12)14-16-10/h2-4H,5H2,1H3
InChIKeyIUWLBBAVBGRBQT-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.25
Rot. Bonds3

About 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole

5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole (PubChem CID 28941934) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
PubChem CID28941934
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Br)c(-c2nc(CCl)no2)c1
InChIInChI=1S/C10H8BrClN2O2/c1-15-6-2-3-8(11)7(4-6)10-13-9(5-12)14-16-10/h2-4H,5H2,1H3
InChIKeyIUWLBBAVBGRBQT-UHFFFAOYSA-N
XLogP3.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 55065618
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325628
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325634
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61324822
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyethanamine
CID 104634100
5-(2-bromo-5-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742628
4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 115411779
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120179
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
5-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 113305049

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole (CID 28941934) is 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole is COc1ccc(Br)c(-c2nc(CCl)no2)c1.
What is the InChIKey of 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
The InChIKey is IUWLBBAVBGRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-15-6-2-3-8(11)7(4-6)10-13-9(5-12)14-16-10/h2-4H,5H2,1H3.
What are the key properties of 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole?
5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole has a molecular weight of 303.54 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 28941934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).