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

C13H8BrClN2O3 — CID 8533570

IUPAC2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(-c3ccco3)o2)c(Br)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-6-8(15)3-4-10(9)19-7-12-16-17-13(20-12)11-2-1-5-18-11/h1-6H,7H2
InChIKeyNGUYSZZKBROJQJ-UHFFFAOYSA-N
MW355.58 g/mol
LogP4.32
Rot. Bonds4

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

2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 8533570) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID8533570
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(-c3ccco3)o2)c(Br)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-6-8(15)3-4-10(9)19-7-12-16-17-13(20-12)11-2-1-5-18-11/h1-6H,7H2
InChIKeyNGUYSZZKBROJQJ-UHFFFAOYSA-N
XLogP4.32
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromo-4-chlorophenoxy)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 71880151
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615694
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 712393
2-(5-bromofuran-2-yl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 26218065
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554956
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid
CID 123335106
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 7812387
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 8533570) is 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is Clc1ccc(OCc2nnc(-c3ccco3)o2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is NGUYSZZKBROJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-9-6-8(15)3-4-10(9)19-7-12-16-17-13(20-12)11-2-1-5-18-11/h1-6H,7H2.
What are the key properties of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 355.58 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenoxy)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 8533570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).