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

C15H19N3O — CID 65415533

IUPAC2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C15H19N3O/c1-15(2,16-3)14-17-13(18-19-14)12-8-10-6-4-5-7-11(10)9-12/h4-7,12,16H,8-9H2,1-3H3
InChIKeyKWKJAMOKQXEWIO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds3

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

2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 65415533) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID65415533
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C15H19N3O/c1-15(2,16-3)14-17-13(18-19-14)12-8-10-6-4-5-7-11(10)9-12/h4-7,12,16H,8-9H2,1-3H3
InChIKeyKWKJAMOKQXEWIO-UHFFFAOYSA-N
XLogP2.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65415327
N-methyl-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65421018
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65415723
5-(1-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazole
CID 65415290
N-cyclopropyl-3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-amine
CID 65405431
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65403043
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 65406249
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65406056
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 65403344
3-(2,3-dihydro-1H-inden-2-yl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65413913
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 65404515
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65404119

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 65415533) is 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is KWKJAMOKQXEWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,16-3)14-17-13(18-19-14)12-8-10-6-4-5-7-11(10)9-12/h4-7,12,16H,8-9H2,1-3H3.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 65415533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).