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

C15H17N3O — CID 62136870

IUPACN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1-c1nnc(CNC3CC3)o1)CCC2
InChIInChI=1S/C15H17N3O/c1-2-10-4-5-12(8-11(10)3-1)15-18-17-14(19-15)9-16-13-6-7-13/h4-5,8,13,16H,1-3,6-7,9H2
InChIKeyAOYMZEJODNEQNQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.48
Rot. Bonds4

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

N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62136870) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62136870
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1-c1nnc(CNC3CC3)o1)CCC2
InChIInChI=1S/C15H17N3O/c1-2-10-4-5-12(8-11(10)3-1)15-18-17-14(19-15)9-16-13-6-7-13/h4-5,8,13,16H,1-3,6-7,9H2
InChIKeyAOYMZEJODNEQNQ-UHFFFAOYSA-N
XLogP2.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62136870) is N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is c1cc2c(cc1-c1nnc(CNC3CC3)o1)CCC2.
What is the InChIKey of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is AOYMZEJODNEQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-10-4-5-12(8-11(10)3-1)15-18-17-14(19-15)9-16-13-6-7-13/h4-5,8,13,16H,1-3,6-7,9H2.
What are the key properties of N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 255.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62136870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).