5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C13H8BrClN2O2S — CID 8533692

IUPAC5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3cccs3)no2)c(Br)c1
InChIInChI=1S/C13H8BrClN2O2S/c14-9-6-8(15)3-4-10(9)18-7-12-16-13(17-19-12)11-2-1-5-20-11/h1-6H,7H2
InChIKeyGKURWBBUWQMBBR-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.79
Rot. Bonds4

About 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 8533692) has the molecular formula C13H8BrClN2O2S and a molecular weight of 371.64 g/mol. Its IUPAC name is 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID8533692
Molecular FormulaC13H8BrClN2O2S
Molecular Weight371.64 g/mol
Exact Mass369.92
IUPAC Name5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2nc(-c3cccs3)no2)c(Br)c1
InChIInChI=1S/C13H8BrClN2O2S/c14-9-6-8(15)3-4-10(9)18-7-12-16-13(17-19-12)11-2-1-5-20-11/h1-6H,7H2
InChIKeyGKURWBBUWQMBBR-UHFFFAOYSA-N
XLogP4.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18775782
5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9138008
5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8515424
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-amino-5-chlorobenzoate
CID 18138336
5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 987928
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 5-chloro-2-hydroxybenzoate
CID 18171316
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334480
3-(4-bromothiophen-2-yl)-5-[(2-chloro-4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 55923867
5-(1,3-benzodioxol-5-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9137704
5-[(5-methyl-2-nitrophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 36632101
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 8533692) is 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Clc1ccc(OCc2nc(-c3cccs3)no2)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is GKURWBBUWQMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2S/c14-9-6-8(15)3-4-10(9)18-7-12-16-13(17-19-12)11-2-1-5-20-11/h1-6H,7H2.
What are the key properties of 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 371.64 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 8533692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).