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

C16H19N3O — CID 47320657

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCC(Nc1ccc2c(c1)CCC2)c1nc(C2CC2)no1
InChIInChI=1S/C16H19N3O/c1-10(16-18-15(19-20-16)12-5-6-12)17-14-8-7-11-3-2-4-13(11)9-14/h7-10,12,17H,2-6H2,1H3
InChIKeyVDPMCMAKCOQWEF-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.61
Rot. Bonds4

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

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 47320657) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID47320657
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCC(Nc1ccc2c(c1)CCC2)c1nc(C2CC2)no1
InChIInChI=1S/C16H19N3O/c1-10(16-18-15(19-20-16)12-5-6-12)17-14-8-7-11-3-2-4-13(11)9-14/h7-10,12,17H,2-6H2,1H3
InChIKeyVDPMCMAKCOQWEF-UHFFFAOYSA-N
XLogP3.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine (CID 47320657) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine is CC(Nc1ccc2c(c1)CCC2)c1nc(C2CC2)no1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is VDPMCMAKCOQWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(16-18-15(19-20-16)12-5-6-12)17-14-8-7-11-3-2-4-13(11)9-14/h7-10,12,17H,2-6H2,1H3.
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 269.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 47320657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).