3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine

C11H9N3O2 — CID 63091500

IUPAC3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C11H9N3O2/c1-12-11-13-10(14-16-11)9-6-7-4-2-3-5-8(7)15-9/h2-6H,1H3,(H,12,13,14)
InChIKeyQEDMFSCEAYDTMU-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.52
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine

3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 63091500) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID63091500
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2cc3ccccc3o2)no1
InChIInChI=1S/C11H9N3O2/c1-12-11-13-10(14-16-11)9-6-7-4-2-3-5-8(7)15-9/h2-6H,1H3,(H,12,13,14)
InChIKeyQEDMFSCEAYDTMU-UHFFFAOYSA-N
XLogP2.52
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63090592
2-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073618
2-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 63089538
3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 167961435
3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95012274
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106524747
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344483
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929
2-(1-benzofuran-2-yl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 63485228
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845259

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 63091500) is 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine is CNc1nc(-c2cc3ccccc3o2)no1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is QEDMFSCEAYDTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-12-11-13-10(14-16-11)9-6-7-4-2-3-5-8(7)15-9/h2-6H,1H3,(H,12,13,14).
What are the key properties of 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 215.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63091500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).