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

C17H23N3O — CID 65406681

IUPAC6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(C2CCc3ccccc32)no1
InChIInChI=1S/C17H23N3O/c18-12-6-2-1-3-9-16-19-17(20-21-16)15-11-10-13-7-4-5-8-14(13)15/h4-5,7-8,15H,1-3,6,9-12,18H2
InChIKeyKHZDGGYKTBQGRJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds7

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

6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 65406681) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID65406681
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESNCCCCCCc1nc(C2CCc3ccccc32)no1
InChIInChI=1S/C17H23N3O/c18-12-6-2-1-3-9-16-19-17(20-21-16)15-11-10-13-7-4-5-8-14(13)15/h4-5,7-8,15H,1-3,6,9-12,18H2
InChIKeyKHZDGGYKTBQGRJ-UHFFFAOYSA-N
XLogP3.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
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

3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408029
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191189
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 64981935
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350397
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 65408606
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65284756
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 65405086
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685855
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109279
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65422093

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 65406681) is 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is NCCCCCCc1nc(C2CCc3ccccc32)no1.
What is the InChIKey of 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is KHZDGGYKTBQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-12-6-2-1-3-9-16-19-17(20-21-16)15-11-10-13-7-4-5-8-14(13)15/h4-5,7-8,15H,1-3,6,9-12,18H2.
What are the key properties of 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 65406681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).