[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

C13H11N3O2 — CID 62716479

IUPAC[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C13H11N3O2/c14-8-9-3-5-10(6-4-9)13-15-12(16-18-13)11-2-1-7-17-11/h1-7H,8,14H2
InChIKeyFORJSEPDHARXML-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.46
Rot. Bonds3

About [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (PubChem CID 62716479) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
PubChem CID62716479
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C13H11N3O2/c14-8-9-3-5-10(6-4-9)13-15-12(16-18-13)11-2-1-7-17-11/h1-7H,8,14H2
InChIKeyFORJSEPDHARXML-UHFFFAOYSA-N
XLogP2.46
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (CID 62716479) is [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is NCc1ccc(-c2nc(-c3ccco3)no2)cc1.
What is the InChIKey of [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The InChIKey is FORJSEPDHARXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-8-9-3-5-10(6-4-9)13-15-12(16-18-13)11-2-1-7-17-11/h1-7H,8,14H2.
What are the key properties of [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine has a molecular weight of 241.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 62716479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).