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

C11H11F2N3O — CID 54959365

IUPAC2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C11H11F2N3O/c12-8-3-7(4-9(13)6-8)5-10-15-11(1-2-14)17-16-10/h3-4,6H,1-2,5,14H2
InChIKeyIYVTVEQDTCMLHF-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.44
Rot. Bonds4

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

2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 54959365) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID54959365
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C11H11F2N3O/c12-8-3-7(4-9(13)6-8)5-10-15-11(1-2-14)17-16-10/h3-4,6H,1-2,5,14H2
InChIKeyIYVTVEQDTCMLHF-UHFFFAOYSA-N
XLogP1.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846485
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
(1S)-2-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107836774
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732
1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 61496275
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 63260255
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893665
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
1-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 61496533
5-(1-chloroethyl)-3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazole
CID 54959267
3-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345653

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 54959365) is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is IYVTVEQDTCMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-8-3-7(4-9(13)6-8)5-10-15-11(1-2-14)17-16-10/h3-4,6H,1-2,5,14H2.
What are the key properties of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 239.22 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 54959365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).