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

C14H15N3O2 — CID 106396498

IUPAC1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ncon1)c1cc2ccccc2o1
InChIInChI=1S/C14H15N3O2/c1-10(15-7-6-14-16-9-18-17-14)13-8-11-4-2-3-5-12(11)19-13/h2-5,8-10,15H,6-7H2,1H3
InChIKeyATRZUEVIFDGRGS-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.71
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (PubChem CID 106396498) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
PubChem CID106396498
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
SMILESCC(NCCc1ncon1)c1cc2ccccc2o1
InChIInChI=1S/C14H15N3O2/c1-10(15-7-6-14-16-9-18-17-14)13-8-11-4-2-3-5-12(11)19-13/h2-5,8-10,15H,6-7H2,1H3
InChIKeyATRZUEVIFDGRGS-UHFFFAOYSA-N
XLogP2.71
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
1-(1-benzofuran-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831691
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395346
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine (CID 106396498) is 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is CC(NCCc1ncon1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
The InChIKey is ATRZUEVIFDGRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(15-7-6-14-16-9-18-17-14)13-8-11-4-2-3-5-12(11)19-13/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 106396498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).