2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole

C10H8BrClN2O — CID 131123776

IUPAC2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESCc1cccc(Br)c1-c1nnc(CCl)o1
InChIInChI=1S/C10H8BrClN2O/c1-6-3-2-4-7(11)9(6)10-14-13-8(5-12)15-10/h2-4H,5H2,1H3
InChIKeyIDEDWVLZGVBCDL-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.55
Rot. Bonds2

About 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole

2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole (PubChem CID 131123776) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
PubChem CID131123776
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
SMILESCc1cccc(Br)c1-c1nnc(CCl)o1
InChIInChI=1S/C10H8BrClN2O/c1-6-3-2-4-7(11)9(6)10-14-13-8(5-12)15-10/h2-4H,5H2,1H3
InChIKeyIDEDWVLZGVBCDL-UHFFFAOYSA-N
XLogP3.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromo-6-methylphenyl)-2-(chloromethyl)-1,3-oxazole
CID 130624755
2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 107949600
2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 62340991
2-(chloromethyl)-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 16789153
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
CID 135778970
2-[5-(3-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl carbamate
CID 174997540
2-(chloromethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
CID 65101529
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
N-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106956428

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole (CID 131123776) is 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole is Cc1cccc(Br)c1-c1nnc(CCl)o1.
What is the InChIKey of 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
The InChIKey is IDEDWVLZGVBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c1-6-3-2-4-7(11)9(6)10-14-13-8(5-12)15-10/h2-4H,5H2,1H3.
What are the key properties of 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole?
2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole has a molecular weight of 287.54 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 131123776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).