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

C11H11N3O2 — CID 63742857

IUPAC[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc3c(c2)COC3)o1
InChIInChI=1S/C11H11N3O2/c12-4-10-13-14-11(16-10)7-1-2-8-5-15-6-9(8)3-7/h1-3H,4-6,12H2
InChIKeyALBSWCWMQXDMCL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.23
Rot. Bonds2

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

[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 63742857) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID63742857
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc3c(c2)COC3)o1
InChIInChI=1S/C11H11N3O2/c12-4-10-13-14-11(16-10)7-1-2-8-5-15-6-9(8)3-7/h1-3H,4-6,12H2
InChIKeyALBSWCWMQXDMCL-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloropropyl)-5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazole
CID 55230879
5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one
CID 82478357
[3-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
CID 63021121
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62136870
1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
CID 47002851
[5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071105
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
[5-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]methanamine
CID 66155912
6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine
CID 11368185
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82483370

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 63742857) is [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(-c2ccc3c(c2)COC3)o1.
What is the InChIKey of [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is ALBSWCWMQXDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-4-10-13-14-11(16-10)7-1-2-8-5-15-6-9(8)3-7/h1-3H,4-6,12H2.
What are the key properties of [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 217.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 63742857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).