2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H9F2N3O — CID 61336064

IUPAC2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O/c11-7-2-1-6(5-8(7)12)10-14-9(3-4-13)15-16-10/h1-2,5H,3-4,13H2
InChIKeyGAJSGUAQHSFHKC-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.52
Rot. Bonds3

About 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61336064) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61336064
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O/c11-7-2-1-6(5-8(7)12)10-14-9(3-4-13)15-16-10/h1-2,5H,3-4,13H2
InChIKeyGAJSGUAQHSFHKC-UHFFFAOYSA-N
XLogP1.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61336064) is 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is GAJSGUAQHSFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-7-2-1-6(5-8(7)12)10-14-9(3-4-13)15-16-10/h1-2,5H,3-4,13H2.
What are the key properties of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 225.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61336064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).