[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine

C12H11N3O2 — CID 55012566

IUPAC[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc2oc(-c3nc(CN)no3)cc2c1
InChIInChI=1S/C12H11N3O2/c1-7-2-3-9-8(4-7)5-10(16-9)12-14-11(6-13)15-17-12/h2-5H,6,13H2,1H3
InChIKeyYAKRJZPJQRWHTH-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.25
Rot. Bonds2

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

[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 55012566) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID55012566
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc2oc(-c3nc(CN)no3)cc2c1
InChIInChI=1S/C12H11N3O2/c1-7-2-3-9-8(4-7)5-10(16-9)12-14-11(6-13)15-17-12/h2-5H,6,13H2,1H3
InChIKeyYAKRJZPJQRWHTH-UHFFFAOYSA-N
XLogP2.25
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343088
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72914270
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009697
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163596
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylchromen-2-one
CID 20904229
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62648040

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 55012566) is [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1ccc2oc(-c3nc(CN)no3)cc2c1.
What is the InChIKey of [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is YAKRJZPJQRWHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-2-3-9-8(4-7)5-10(16-9)12-14-11(6-13)15-17-12/h2-5H,6,13H2,1H3.
What are the key properties of [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 229.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 55012566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).