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

C13H15N3O2 — CID 62137024

IUPACN-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C2Cc3ccccc3O2)o1
InChIInChI=1S/C13H15N3O2/c1-2-14-8-12-15-16-13(18-12)11-7-9-5-3-4-6-10(9)17-11/h3-6,11,14H,2,7-8H2,1H3
InChIKeyYDXOQXOPQUBMRU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.86
Rot. Bonds4

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

N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 62137024) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID62137024
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C2Cc3ccccc3O2)o1
InChIInChI=1S/C13H15N3O2/c1-2-14-8-12-15-16-13(18-12)11-7-9-5-3-4-6-10(9)17-11/h3-6,11,14H,2,7-8H2,1H3
InChIKeyYDXOQXOPQUBMRU-UHFFFAOYSA-N
XLogP1.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071795
N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107856398
5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methylfuran-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 75517199
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137759
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841389
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365037
5-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 97349620
N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
CID 66899013
5-(2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86782918
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371585
5-(ethylaminomethyl)-N-methyl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 106967692
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137199

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 62137024) is N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(C2Cc3ccccc3O2)o1.
What is the InChIKey of N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is YDXOQXOPQUBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-14-8-12-15-16-13(18-12)11-7-9-5-3-4-6-10(9)17-11/h3-6,11,14H,2,7-8H2,1H3.
What are the key properties of N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 245.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62137024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).