6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

C14H18ClN3O — CID 43152107

IUPAC6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H18ClN3O/c15-12-7-5-6-11(10-12)14-17-13(19-18-14)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,16H2
InChIKeyOEDYOLAWOVQOJV-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.45
Rot. Bonds7

About 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 43152107) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID43152107
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H18ClN3O/c15-12-7-5-6-11(10-12)14-17-13(19-18-14)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,16H2
InChIKeyOEDYOLAWOVQOJV-UHFFFAOYSA-N
XLogP3.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43525389
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107922483
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
6-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 104880999
1-amino-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002577
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43622167
6-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43452603
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 43152107) is 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is NCCCCCCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is OEDYOLAWOVQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-12-7-5-6-11(10-12)14-17-13(19-18-14)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,16H2.
What are the key properties of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 43152107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).