5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine

C12H13FN4O2 — CID 146511995

IUPAC5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(N)no2)cc1
InChIInChI=1S/C12H13FN4O2/c13-5-8(6-14)7-18-10-3-1-9(2-4-10)11-16-12(15)17-19-11/h1-5H,6-7,14H2,(H2,15,17)/b8-5+
InChIKeyQFEAJOSUWJOHDL-VMPITWQZSA-N
MW264.26 g/mol
LogP1.51
Rot. Bonds5

About 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine

5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine (PubChem CID 146511995) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine
PubChem CID146511995
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(N)no2)cc1
InChIInChI=1S/C12H13FN4O2/c13-5-8(6-14)7-18-10-3-1-9(2-4-10)11-16-12(15)17-19-11/h1-5H,6-7,14H2,(H2,15,17)/b8-5+
InChIKeyQFEAJOSUWJOHDL-VMPITWQZSA-N
XLogP1.51
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-Dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2810520
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 44560736
5-(4-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 583994
(E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512024
(E)-3-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512028
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512034
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512036
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine
CID 146512039
(E)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512228
(Z)-3-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369016
(Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369019

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine (CID 146511995) is 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine is NC/C(=C\F)COc1ccc(-c2nc(N)no2)cc1.
What is the InChIKey of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is QFEAJOSUWJOHDL-VMPITWQZSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-5-8(6-14)7-18-10-3-1-9(2-4-10)11-16-12(15)17-19-11/h1-5H,6-7,14H2,(H2,15,17)/b8-5+.
What are the key properties of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine?
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 264.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 146511995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).