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

C17H15BrN2O3 — CID 2979292

IUPAC5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2noc(-c3ccccc3Br)n2)ccc1OC
InChIInChI=1S/C17H15BrN2O3/c1-3-22-15-10-11(8-9-14(15)21-2)16-19-17(23-20-16)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3
InChIKeyVCCLAWJUIRCUJQ-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.57
Rot. Bonds5

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

5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 2979292) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID2979292
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2noc(-c3ccccc3Br)n2)ccc1OC
InChIInChI=1S/C17H15BrN2O3/c1-3-22-15-10-11(8-9-14(15)21-2)16-19-17(23-20-16)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3
InChIKeyVCCLAWJUIRCUJQ-UHFFFAOYSA-N
XLogP4.57
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 3160321
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
5-(2-bromophenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 3935591
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 159007615

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole (CID 2979292) is 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole is CCOc1cc(-c2noc(-c3ccccc3Br)n2)ccc1OC.
What is the InChIKey of 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is VCCLAWJUIRCUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-3-22-15-10-11(8-9-14(15)21-2)16-19-17(23-20-16)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3.
What are the key properties of 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 375.22 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2979292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).