3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

C11H11BrClN3O2 — CID 113337349

IUPAC3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H11BrClN3O2/c1-17-5-4-14-11-15-10(16-18-11)7-2-3-9(13)8(12)6-7/h2-3,6H,4-5H2,1H3,(H,14,15,16)
InChIKeyAXBHYLQPVAMPFM-UHFFFAOYSA-N
MW332.59 g/mol
LogP3.21
Rot. Bonds5

About 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 113337349) has the molecular formula C11H11BrClN3O2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID113337349
Molecular FormulaC11H11BrClN3O2
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H11BrClN3O2/c1-17-5-4-14-11-15-10(16-18-11)7-2-3-9(13)8(12)6-7/h2-3,6H,4-5H2,1H3,(H,14,15,16)
InChIKeyAXBHYLQPVAMPFM-UHFFFAOYSA-N
XLogP3.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-4-chlorophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 115568404
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
CID 62596162
N-[2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 115565619
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115565472
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115565498
N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 113329658
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464
3-(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-1,2,4-oxadiazol-5-amine
CID 46276315
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 115568616

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 113337349) is 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is AXBHYLQPVAMPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2/c1-17-5-4-14-11-15-10(16-18-11)7-2-3-9(13)8(12)6-7/h2-3,6H,4-5H2,1H3,(H,14,15,16).
What are the key properties of 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 332.59 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 113337349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).