[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

C11H7F2N3O2 — CID 117380348

IUPAC[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2c(F)cc(F)c3occc23)no1
InChIInChI=1S/C11H7F2N3O2/c12-6-3-7(13)10-5(1-2-17-10)9(6)11-15-8(4-14)18-16-11/h1-3H,4,14H2
InChIKeyUZGBMAKPRPRYRB-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.22
Rot. Bonds2

About [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117380348) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117380348
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC Name[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2c(F)cc(F)c3occc23)no1
InChIInChI=1S/C11H7F2N3O2/c12-6-3-7(13)10-5(1-2-17-10)9(6)11-15-8(4-14)18-16-11/h1-3H,4,14H2
InChIKeyUZGBMAKPRPRYRB-UHFFFAOYSA-N
XLogP2.22
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117337404
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3,5-difluorophenol
CID 136968528
[3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83403632
5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117344153
[3-(2,5-difluoro-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117350136
[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008074
[3-(2-chloro-3-fluoro-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117356000
[3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397354
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-bromo-5-fluorobenzene-1,2-diol
CID 136966498
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-bromo-6-fluorophenol
CID 136968319
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-bromo-4-fluorobenzene-1,2-diol
CID 136966499

Frequently Asked Questions

What is the IUPAC name of [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117380348) is [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2c(F)cc(F)c3occc23)no1.
What is the InChIKey of [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is UZGBMAKPRPRYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c12-6-3-7(13)10-5(1-2-17-10)9(6)11-15-8(4-14)18-16-11/h1-3H,4,14H2.
What are the key properties of [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 251.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117380348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).