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

C13H15Cl2N3O — CID 107917796

IUPAC1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C13H15Cl2N3O/c1-2-3-11(16)7-12-17-13(18-19-12)8-4-9(14)6-10(15)5-8/h4-6,11H,2-3,7,16H2,1H3
InChIKeySXDHVCYJNYYAFX-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.71
Rot. Bonds5

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

1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 107917796) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID107917796
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(N)Cc1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C13H15Cl2N3O/c1-2-3-11(16)7-12-17-13(18-19-12)8-4-9(14)6-10(15)5-8/h4-6,11H,2-3,7,16H2,1H3
InChIKeySXDHVCYJNYYAFX-UHFFFAOYSA-N
XLogP3.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23644665
(2R,3R)-3-(3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 44561154
N-(2-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)ethyl)acetamide
CID 4893681
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide
CID 3162695
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-methylpropanamide
CID 4896328
1-[3-(4-Chlorophenyl)-1,2,4-Oxadiazol-5-Yl]Ethanamine
CID 17604855
3-(4-chlorophenyl)-5-[(3R)-piperidin-1-ium-3-yl]-1,2,4-oxadiazole
CID 42416106
1-[3-(2-Chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-ethylamine
CID 6492298
(2R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 137632255
(2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 137645959
[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 8081324
2-(3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl)ethanamine
CID 28805537

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 107917796) is 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(N)Cc1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is SXDHVCYJNYYAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-2-3-11(16)7-12-17-13(18-19-12)8-4-9(14)6-10(15)5-8/h4-6,11H,2-3,7,16H2,1H3.
What are the key properties of 1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 300.19 g/mol, XLogP of 3.71, 5 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]pentan-2-amine is sourced from PubChem (CID 107917796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).