2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole

C17H10BrClN4O3 — CID 52849087

IUPAC2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1noc(OCc2nnc(-c3cccc(Br)c3)o2)n1
InChIInChI=1S/C17H10BrClN4O3/c18-11-5-3-4-10(8-11)16-22-21-14(25-16)9-24-17-20-15(23-26-17)12-6-1-2-7-13(12)19/h1-8H,9H2
InChIKeyFXPXVLHUFKSRSN-UHFFFAOYSA-N
MW433.65 g/mol
LogP4.78
Rot. Bonds5

About 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole

2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole (PubChem CID 52849087) has the molecular formula C17H10BrClN4O3 and a molecular weight of 433.65 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole
PubChem CID52849087
Molecular FormulaC17H10BrClN4O3
Molecular Weight433.65 g/mol
Exact Mass431.96
IUPAC Name2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1noc(OCc2nnc(-c3cccc(Br)c3)o2)n1
InChIInChI=1S/C17H10BrClN4O3/c18-11-5-3-4-10(8-11)16-22-21-14(25-16)9-24-17-20-15(23-26-17)12-6-1-2-7-13(12)19/h1-8H,9H2
InChIKeyFXPXVLHUFKSRSN-UHFFFAOYSA-N
XLogP4.78
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.65
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole (CID 52849087) is 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole is Clc1ccccc1-c1noc(OCc2nnc(-c3cccc(Br)c3)o2)n1.
What is the InChIKey of 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole?
The InChIKey is FXPXVLHUFKSRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN4O3/c18-11-5-3-4-10(8-11)16-22-21-14(25-16)9-24-17-20-15(23-26-17)12-6-1-2-7-13(12)19/h1-8H,9H2.
What are the key properties of 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole has a molecular weight of 433.65 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 52849087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).