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

C17H21N3O2 — CID 86843175

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCc1noc(CN(CC)C(C)c2cc3ccccc3o2)n1
InChIInChI=1S/C17H21N3O2/c1-4-16-18-17(22-19-16)11-20(5-2)12(3)15-10-13-8-6-7-9-14(13)21-15/h6-10,12H,4-5,11H2,1-3H3
InChIKeyXCIMDVLGIZXMSF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.96
Rot. Bonds6

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

1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 86843175) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID86843175
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCc1noc(CN(CC)C(C)c2cc3ccccc3o2)n1
InChIInChI=1S/C17H21N3O2/c1-4-16-18-17(22-19-16)11-20(5-2)12(3)15-10-13-8-6-7-9-14(13)21-15/h6-10,12H,4-5,11H2,1-3H3
InChIKeyXCIMDVLGIZXMSF-UHFFFAOYSA-N
XLogP3.96
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 111432014
N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
CID 71866216
2-butan-2-yl-1-benzofuran
CID 12065919
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine
CID 71937501
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055146
1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
CID 63898460
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
N-[(2R,3R)-1-[2-(1-benzofuran-2-yl)propanoyl]-2-methylpyrrolidin-3-yl]-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 166343768
1-[1-(1-benzofuran-2-yl)ethyl]-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 75468686

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 86843175) is 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCc1noc(CN(CC)C(C)c2cc3ccccc3o2)n1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is XCIMDVLGIZXMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-16-18-17(22-19-16)11-20(5-2)12(3)15-10-13-8-6-7-9-14(13)21-15/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 299.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 86843175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).