1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C17H15BrN2O3 — CID 22576901

IUPAC1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2OC(c3cccc(Br)c3)=NN2C(C)=O)cc1
InChIInChI=1S/C17H15BrN2O3/c1-11(21)20-17(12-6-8-15(22-2)9-7-12)23-16(19-20)13-4-3-5-14(18)10-13/h3-10,17H,1-2H3
InChIKeyGDVLAXMQLNBBQJ-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.70
Rot. Bonds3

About 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 22576901) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID22576901
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCOc1ccc(C2OC(c3cccc(Br)c3)=NN2C(C)=O)cc1
InChIInChI=1S/C17H15BrN2O3/c1-11(21)20-17(12-6-8-15(22-2)9-7-12)23-16(19-20)13-4-3-5-14(18)10-13/h3-10,17H,1-2H3
InChIKeyGDVLAXMQLNBBQJ-UHFFFAOYSA-N
XLogP3.70
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 22576901) is 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is COc1ccc(C2OC(c3cccc(Br)c3)=NN2C(C)=O)cc1.
What is the InChIKey of 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is GDVLAXMQLNBBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-11(21)20-17(12-6-8-15(22-2)9-7-12)23-16(19-20)13-4-3-5-14(18)10-13/h3-10,17H,1-2H3.
What are the key properties of 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 375.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 22576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).