2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

C15H19N3O3 — CID 104636792

IUPAC2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(C2Cc3ccccc3O2)n1
InChIInChI=1S/C15H19N3O3/c1-3-19-9-15(2,16)14-17-13(21-18-14)12-8-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8-9,16H2,1-2H3
InChIKeySCIFUKOOYIPOSC-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.96
Rot. Bonds5

About 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (PubChem CID 104636792) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
PubChem CID104636792
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(C2Cc3ccccc3O2)n1
InChIInChI=1S/C15H19N3O3/c1-3-19-9-15(2,16)14-17-13(21-18-14)12-8-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8-9,16H2,1-2H3
InChIKeySCIFUKOOYIPOSC-UHFFFAOYSA-N
XLogP1.96
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The IUPAC name of 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (CID 104636792) is 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.
What is the SMILES notation for 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The canonical SMILES for 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is CCOCC(C)(N)c1noc(C2Cc3ccccc3O2)n1.
What is the InChIKey of 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The InChIKey is SCIFUKOOYIPOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-19-9-15(2,16)14-17-13(21-18-14)12-8-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine has a molecular weight of 289.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 104636792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).