1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine

C12H13F2N3O — CID 106394173

IUPAC1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncno1)c1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O/c1-8(12-9(13)3-2-4-10(12)14)15-6-5-11-16-7-17-18-11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyJLMGVXKMFBXURA-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine

1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 106394173) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID106394173
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncno1)c1c(F)cccc1F
InChIInChI=1S/C12H13F2N3O/c1-8(12-9(13)3-2-4-10(12)14)15-6-5-11-16-7-17-18-11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyJLMGVXKMFBXURA-UHFFFAOYSA-N
XLogP2.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106394868
1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114183185
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106394975
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
CID 106394842
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
N-[1-(2,6-difluorophenyl)ethyl]but-3-en-1-amine
CID 115900114
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 106408836
6-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103873715
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114184201

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 106394173) is 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CC(NCCc1ncno1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is JLMGVXKMFBXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-8(12-9(13)3-2-4-10(12)14)15-6-5-11-16-7-17-18-11/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 253.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106394173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).