1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

C19H26ClN3O3 — CID 120865510

IUPAC1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCCOc1cc2c(cc1/C=C/c1nc(CC(C)NC)no1)OC(C)C2.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-5-23-16-11-15-9-13(3)24-17(15)10-14(16)6-7-19-21-18(22-25-19)8-12(2)20-4;/h6-7,10-13,20H,5,8-9H2,1-4H3;1H/b7-6+;
InChIKeyHURBIUQNPJXQRW-UHDJGPCESA-N
MW379.89 g/mol
LogP3.53
Rot. Bonds7

About 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (PubChem CID 120865510) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
PubChem CID120865510
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCCOc1cc2c(cc1/C=C/c1nc(CC(C)NC)no1)OC(C)C2.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-5-23-16-11-15-9-13(3)24-17(15)10-14(16)6-7-19-21-18(22-25-19)8-12(2)20-4;/h6-7,10-13,20H,5,8-9H2,1-4H3;1H/b7-6+;
InChIKeyHURBIUQNPJXQRW-UHDJGPCESA-N
XLogP3.53
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (CID 120865510) is 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is CCOc1cc2c(cc1/C=C/c1nc(CC(C)NC)no1)OC(C)C2.Cl.
What is the InChIKey of 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The InChIKey is HURBIUQNPJXQRW-UHDJGPCESA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-5-23-16-11-15-9-13(3)24-17(15)10-14(16)6-7-19-21-18(22-25-19)8-12(2)20-4;/h6-7,10-13,20H,5,8-9H2,1-4H3;1H/b7-6+;.
What are the key properties of 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120865510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).