1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine

C12H13Cl2N3O — CID 114183185

IUPAC1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncno1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O/c1-8(9-3-2-4-10(13)12(9)14)15-6-5-11-16-7-17-18-11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyAKBBUCPOBRNYDA-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.27
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine

1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 114183185) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID114183185
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncno1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O/c1-8(9-3-2-4-10(13)12(9)14)15-6-5-11-16-7-17-18-11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyAKBBUCPOBRNYDA-UHFFFAOYSA-N
XLogP3.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106394173
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106394975
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
N-[1-(2,3-dichlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 113259673
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
CID 106394842
N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
CID 103779812
N-[1-(2,3-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103779145
3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 103780154
1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787028
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 114183185) is 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CC(NCCc1ncno1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is AKBBUCPOBRNYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-8(9-3-2-4-10(13)12(9)14)15-6-5-11-16-7-17-18-11/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 286.16 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 114183185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).