5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C13H16N4O2 — CID 106960297

IUPAC5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCC2Cc3ccccc3O2)o1
InChIInChI=1S/C13H16N4O2/c1-8(14)12-16-17-13(19-12)15-7-10-6-9-4-2-3-5-11(9)18-10/h2-5,8,10H,6-7,14H2,1H3,(H,15,17)
InChIKeyGXZIKSUHGLBJNP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.50
Rot. Bonds4

About 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960297) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960297
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(N)c1nnc(NCC2Cc3ccccc3O2)o1
InChIInChI=1S/C13H16N4O2/c1-8(14)12-16-17-13(19-12)15-7-10-6-9-4-2-3-5-11(9)18-10/h2-5,8,10H,6-7,14H2,1H3,(H,15,17)
InChIKeyGXZIKSUHGLBJNP-UHFFFAOYSA-N
XLogP1.50
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80822499
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80821761
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106960297) is 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(N)c1nnc(NCC2Cc3ccccc3O2)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GXZIKSUHGLBJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(14)12-16-17-13(19-12)15-7-10-6-9-4-2-3-5-11(9)18-10/h2-5,8,10H,6-7,14H2,1H3,(H,15,17).
What are the key properties of 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 260.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).