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

C10H10ClN3O — CID 28805537

IUPAC2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C10H10ClN3O/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)15-14-10/h1-3,6H,4-5,12H2
InChIKeyCDOGBSWHYDXOBD-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.89
Rot. Bonds3

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

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 28805537) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID28805537
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C10H10ClN3O/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)15-14-10/h1-3,6H,4-5,12H2
InChIKeyCDOGBSWHYDXOBD-UHFFFAOYSA-N
XLogP1.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 28805537) is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is CDOGBSWHYDXOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-3-1-2-7(6-8)10-13-9(4-5-12)15-14-10/h1-3,6H,4-5,12H2.
What are the key properties of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 223.66 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 28805537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).