3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole

C15H11BrN2O2 — CID 790083

IUPAC3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C15H11BrN2O2/c1-19-13-5-3-2-4-12(13)15-17-14(18-20-15)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeyLHHCNRHXTIQIMJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.17
Rot. Bonds3

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

3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 790083) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID790083
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C15H11BrN2O2/c1-19-13-5-3-2-4-12(13)15-17-14(18-20-15)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeyLHHCNRHXTIQIMJ-UHFFFAOYSA-N
XLogP4.17
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 779192
Irampanel
CID 3038472
[2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 8034425
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 767655
5-(2,4-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 893238
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
5-(4-Bromo-2-piperidin-4-yloxyphenyl)-3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 89615811
3-(5-Bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 717857
5-(2-Fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 925735

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 790083) is 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LHHCNRHXTIQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-19-13-5-3-2-4-12(13)15-17-14(18-20-15)10-6-8-11(16)9-7-10/h2-9H,1H3.
What are the key properties of 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 331.17 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 790083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).