3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one

C18H13BrN4O4 — CID 154838725

IUPAC3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one
SMILESCOc1ccccc1-c1nnc(Cn2c(-c3cccc(Br)c3)noc2=O)o1
InChIInChI=1S/C18H13BrN4O4/c1-25-14-8-3-2-7-13(14)17-21-20-15(26-17)10-23-16(22-27-18(23)24)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3
InChIKeyGTXDLAWEAMNICX-UHFFFAOYSA-N
MW429.23 g/mol
LogP3.37
Rot. Bonds5

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

3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one (PubChem CID 154838725) has the molecular formula C18H13BrN4O4 and a molecular weight of 429.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one
PubChem CID154838725
Molecular FormulaC18H13BrN4O4
Molecular Weight429.23 g/mol
Exact Mass428.01
IUPAC Name3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one
SMILESCOc1ccccc1-c1nnc(Cn2c(-c3cccc(Br)c3)noc2=O)o1
InChIInChI=1S/C18H13BrN4O4/c1-25-14-8-3-2-7-13(14)17-21-20-15(26-17)10-23-16(22-27-18(23)24)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3
InChIKeyGTXDLAWEAMNICX-UHFFFAOYSA-N
XLogP3.37
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one 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 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one (CID 154838725) is 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one is COc1ccccc1-c1nnc(Cn2c(-c3cccc(Br)c3)noc2=O)o1.
What is the InChIKey of 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is GTXDLAWEAMNICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O4/c1-25-14-8-3-2-7-13(14)17-21-20-15(26-17)10-23-16(22-27-18(23)24)11-5-4-6-12(19)9-11/h2-9H,10H2,1H3.
What are the key properties of 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one?
3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 429.23 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 154838725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).