5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole

C11H11BrN2O2 — CID 175874246

IUPAC5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole
SMILESCCOc1ccc(Br)cc1-c1nc(C)no1
InChIInChI=1S/C11H11BrN2O2/c1-3-15-10-5-4-8(12)6-9(10)11-13-7(2)14-16-11/h4-6H,3H2,1-2H3
InChIKeyWYTICGNDYRPYJO-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.21
Rot. Bonds3

About 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole

5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 175874246) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole
PubChem CID175874246
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole
SMILESCCOc1ccc(Br)cc1-c1nc(C)no1
InChIInChI=1S/C11H11BrN2O2/c1-3-15-10-5-4-8(12)6-9(10)11-13-7(2)14-16-11/h4-6H,3H2,1-2H3
InChIKeyWYTICGNDYRPYJO-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(5-bromo-2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propan-1-one
CID 167946886
2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852853
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
2-(5-bromo-2-ethoxyphenyl)furan
CID 168526403
5-(5-bromo-2-methoxyphenyl)-3-(1-chlorobutyl)-1,2,4-oxadiazole
CID 112742049
4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
CID 86004337
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
N-[1-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62393061
2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole
CID 135333421
2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 11575105
5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
CID 164893337
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole (CID 175874246) is 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole is CCOc1ccc(Br)cc1-c1nc(C)no1.
What is the InChIKey of 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is WYTICGNDYRPYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-15-10-5-4-8(12)6-9(10)11-13-7(2)14-16-11/h4-6H,3H2,1-2H3.
What are the key properties of 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole?
5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 283.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-ethoxyphenyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 175874246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).