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

C16H13BrN2O2 — CID 2231572

IUPAC3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C16H13BrN2O2/c1-2-20-14-9-4-3-8-13(14)16-18-15(19-21-16)11-6-5-7-12(17)10-11/h3-10H,2H2,1H3
InChIKeyUTNGDOVABKIONI-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.56
Rot. Bonds4

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

3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2231572) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
PubChem CID2231572
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C16H13BrN2O2/c1-2-20-14-9-4-3-8-13(14)16-18-15(19-21-16)11-6-5-7-12(17)10-11/h3-10H,2H2,1H3
InChIKeyUTNGDOVABKIONI-UHFFFAOYSA-N
XLogP4.56
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
5-(2-ethoxyphenyl)-3-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 146297070
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030882
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-ethoxyphenyl)isoquinolin-1-one
CID 53082073
5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 15390901
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-(3-bromophenyl)-5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 8895288
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660254

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole (CID 2231572) is 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is UTNGDOVABKIONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-2-20-14-9-4-3-8-13(14)16-18-15(19-21-16)11-6-5-7-12(17)10-11/h3-10H,2H2,1H3.
What are the key properties of 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole?
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2231572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).