5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine

C17H19N3O — CID 62717251

IUPAC5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESNCCCCCc1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c18-11-5-1-2-8-16-19-17(20-21-16)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12H,1-2,5,8,11,18H2
InChIKeyGWNCDEAWQMYXGY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.56
Rot. Bonds6

About 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine

5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (PubChem CID 62717251) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
PubChem CID62717251
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESNCCCCCc1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C17H19N3O/c18-11-5-1-2-8-16-19-17(20-21-16)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12H,1-2,5,8,11,18H2
InChIKeyGWNCDEAWQMYXGY-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
6-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 104880999
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107922483
5-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103399467
5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43525389
5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43622167
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106524461
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 114329248
methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 44543077
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 136984329

Frequently Asked Questions

What is the IUPAC name of 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The IUPAC name of 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (CID 62717251) is 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is NCCCCCc1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The InChIKey is GWNCDEAWQMYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-11-5-1-2-8-16-19-17(20-21-16)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12H,1-2,5,8,11,18H2.
What are the key properties of 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 62717251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).