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

C11H11N3O2 — CID 62071795

IUPAC[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C2Cc3ccccc3O2)o1
InChIInChI=1S/C11H11N3O2/c12-6-10-13-14-11(16-10)9-5-7-3-1-2-4-8(7)15-9/h1-4,9H,5-6,12H2
InChIKeyCHJCGWRSPTYMHN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.20
Rot. Bonds2

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

[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62071795) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62071795
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(C2Cc3ccccc3O2)o1
InChIInChI=1S/C11H11N3O2/c12-6-10-13-14-11(16-10)9-5-7-3-1-2-4-8(7)15-9/h1-4,9H,5-6,12H2
InChIKeyCHJCGWRSPTYMHN-UHFFFAOYSA-N
XLogP1.20
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62071795) is [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(C2Cc3ccccc3O2)o1.
What is the InChIKey of [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is CHJCGWRSPTYMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-6-10-13-14-11(16-10)9-5-7-3-1-2-4-8(7)15-9/h1-4,9H,5-6,12H2.
What are the key properties of [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 217.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62071795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).