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

C16H17N3O — CID 79192547

IUPAC4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCc4ccccc43)no2)C1
InChIInChI=1S/C16H17N3O/c17-12-7-5-11(9-12)16-18-15(19-20-16)14-8-6-10-3-1-2-4-13(10)14/h1-5,7,11-12,14H,6,8-9,17H2
InChIKeyFCUQMPLZADVKHM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.52
Rot. Bonds2

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

4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (PubChem CID 79192547) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
PubChem CID79192547
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nc(C3CCc4ccccc43)no2)C1
InChIInChI=1S/C16H17N3O/c17-12-7-5-11(9-12)16-18-15(19-20-16)14-8-6-10-3-1-2-4-13(10)14/h1-5,7,11-12,14H,6,8-9,17H2
InChIKeyFCUQMPLZADVKHM-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65408791
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 79215930
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 80601371
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216157
3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424921
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473911
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79791105
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408029
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109279
(1R)-1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899514
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (CID 79192547) is 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is NC1C=CC(c2nc(C3CCc4ccccc43)no2)C1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The InChIKey is FCUQMPLZADVKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-12-7-5-11(9-12)16-18-15(19-20-16)14-8-6-10-3-1-2-4-13(10)14/h1-5,7,11-12,14H,6,8-9,17H2.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine has a molecular weight of 267.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79192547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).