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

C10H9Cl2N3O — CID 102548765

IUPAC1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C10H9Cl2N3O/c1-5(13)10-14-9(15-16-10)6-2-7(11)4-8(12)3-6/h2-5H,13H2,1H3
InChIKeyYDCYLUPVOWLCPG-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.06
Rot. Bonds2

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

1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 102548765) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID102548765
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C10H9Cl2N3O/c1-5(13)10-14-9(15-16-10)6-2-7(11)4-8(12)3-6/h2-5H,13H2,1H3
InChIKeyYDCYLUPVOWLCPG-UHFFFAOYSA-N
XLogP3.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63092751
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 107917960
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 107917723
ethyl 2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 107917955
(1S)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106847309
1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106847341
(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 97057783
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107917796
1-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081208

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 102548765) is 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is YDCYLUPVOWLCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-5(13)10-14-9(15-16-10)6-2-7(11)4-8(12)3-6/h2-5H,13H2,1H3.
What are the key properties of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 258.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 102548765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).