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

C10H10ClN3O — CID 6492298

IUPAC1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C10H10ClN3O/c1-6(12)10-13-9(14-15-10)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3
InChIKeyBAYFUBWFNPSVMU-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.41
Rot. Bonds2

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

1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 6492298) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID6492298
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C10H10ClN3O/c1-6(12)10-13-9(14-15-10)7-4-2-3-5-8(7)11/h2-6H,12H2,1H3
InChIKeyBAYFUBWFNPSVMU-UHFFFAOYSA-N
XLogP2.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 6492298) is 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is BAYFUBWFNPSVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/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-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 223.66 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 6492298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).