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

C15H19N3O2 — CID 103157766

IUPAC3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C15H19N3O2/c1-19-13(9-16)8-14-17-15(18-20-14)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-13H,6-9,16H2,1H3
InChIKeyKBVBCOFDRDTATN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds5

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

3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine (PubChem CID 103157766) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
PubChem CID103157766
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nc(C2Cc3ccccc3C2)no1
InChIInChI=1S/C15H19N3O2/c1-19-13(9-16)8-14-17-15(18-20-14)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-13H,6-9,16H2,1H3
InChIKeyKBVBCOFDRDTATN-UHFFFAOYSA-N
XLogP1.47
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The IUPAC name of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine (CID 103157766) is 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The canonical SMILES for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine is COC(CN)Cc1nc(C2Cc3ccccc3C2)no1.
What is the InChIKey of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
The InChIKey is KBVBCOFDRDTATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-13(9-16)8-14-17-15(18-20-14)12-6-10-4-2-3-5-11(10)7-12/h2-5,12-13H,6-9,16H2,1H3.
What are the key properties of 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine?
3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine is sourced from PubChem (CID 103157766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).