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

C15H10BrClN2O2 — CID 19332501

IUPAC5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2ccccc2Br)n1
InChIInChI=1S/C15H10BrClN2O2/c1-20-13-7-6-9(17)8-11(13)14-18-15(21-19-14)10-4-2-3-5-12(10)16/h2-8H,1H3
InChIKeyQTCFBJPRKNNBJK-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.83
Rot. Bonds3

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

5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 19332501) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID19332501
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2ccccc2Br)n1
InChIInChI=1S/C15H10BrClN2O2/c1-20-13-7-6-9(17)8-11(13)14-18-15(21-19-14)10-4-2-3-5-12(10)16/h2-8H,1H3
InChIKeyQTCFBJPRKNNBJK-UHFFFAOYSA-N
XLogP4.83
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 19332731
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325269
5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 936656
3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
CID 19332759
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332723

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole (CID 19332501) is 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1noc(-c2ccccc2Br)n1.
What is the InChIKey of 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is QTCFBJPRKNNBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c1-20-13-7-6-9(17)8-11(13)14-18-15(21-19-14)10-4-2-3-5-12(10)16/h2-8H,1H3.
What are the key properties of 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 365.61 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19332501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).