1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H10BrN3O — CID 23008092

IUPAC1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C10H10BrN3O/c1-6(12)10-13-9(14-15-10)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3
InChIKeyPMEWQCACDUCXSP-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.52
Rot. Bonds2

About 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 23008092) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID23008092
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C10H10BrN3O/c1-6(12)10-13-9(14-15-10)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3
InChIKeyPMEWQCACDUCXSP-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 55200898
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 63350687
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 56810229
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548777
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884713
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 63559733
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 102218667
(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96782248

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 23008092) is 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(-c2ccccc2Br)no1.
What is the InChIKey of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is PMEWQCACDUCXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6(12)10-13-9(14-15-10)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3.
What are the key properties of 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 268.11 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 23008092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).