N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C15H19N3O3 — CID 103744587

IUPACN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOc1cc2c(cc1CNCCc1ncno1)OC(C)C2
InChIInChI=1S/C15H19N3O3/c1-10-5-11-6-13(19-2)12(7-14(11)20-10)8-16-4-3-15-17-9-18-21-15/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyFDNCDJNVYMVUQF-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.73
Rot. Bonds6

About N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 103744587) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID103744587
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOc1cc2c(cc1CNCCc1ncno1)OC(C)C2
InChIInChI=1S/C15H19N3O3/c1-10-5-11-6-13(19-2)12(7-14(11)20-10)8-16-4-3-15-17-9-18-21-15/h6-7,9-10,16H,3-5,8H2,1-2H3
InChIKeyFDNCDJNVYMVUQF-UHFFFAOYSA-N
XLogP1.73
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pent-3-yn-1-amine
CID 116643112
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 78942119
4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 38054136
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
3-ethoxy-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propan-1-amine
CID 78910435
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N,N-dimethylpropanamide
CID 78989547
2-(2,2-difluoroethoxy)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 103081100
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 78974962

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 103744587) is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is COc1cc2c(cc1CNCCc1ncno1)OC(C)C2.
What is the InChIKey of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is FDNCDJNVYMVUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-5-11-6-13(19-2)12(7-14(11)20-10)8-16-4-3-15-17-9-18-21-15/h6-7,9-10,16H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 289.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 103744587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).