2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole

C11H11BrN2O2 — CID 82184372

IUPAC2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc(Br)ccc2OC)o1
InChIInChI=1S/C11H11BrN2O2/c1-3-10-13-14-11(16-10)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3
InChIKeyAZGFIXMGFGCQTN-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.07
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole

2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 82184372) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
PubChem CID82184372
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc(Br)ccc2OC)o1
InChIInChI=1S/C11H11BrN2O2/c1-3-10-13-14-11(16-10)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3
InChIKeyAZGFIXMGFGCQTN-UHFFFAOYSA-N
XLogP3.07
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2,6-dimethoxyphenyl)-5-ethyl-1,3,4-oxadiazole
CID 163920305
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852853
N-[[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 115370024
2-(5-bromo-2-propan-2-yloxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852458
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187
2-(5-bromo-2-hexoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852793
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
1-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138105
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
2-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 91006011
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole (CID 82184372) is 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2cc(Br)ccc2OC)o1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is AZGFIXMGFGCQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-10-13-14-11(16-10)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole?
2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 283.12 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 82184372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).