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

C15H17FN4O2 — CID 146512039

IUPAC5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(NC3CC3)no2)cc1
InChIInChI=1S/C15H17FN4O2/c16-7-10(8-17)9-21-13-5-1-11(2-6-13)14-19-15(20-22-14)18-12-3-4-12/h1-2,5-7,12H,3-4,8-9,17H2,(H,18,20)/b10-7+
InChIKeyWKSWGLUEJSEQCZ-JXMROGBWSA-N
MW304.33 g/mol
LogP2.50
Rot. Bonds7

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

5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine (PubChem CID 146512039) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine
PubChem CID146512039
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(NC3CC3)no2)cc1
InChIInChI=1S/C15H17FN4O2/c16-7-10(8-17)9-21-13-5-1-11(2-6-13)14-19-15(20-22-14)18-12-3-4-12/h1-2,5-7,12H,3-4,8-9,17H2,(H,18,20)/b10-7+
InChIKeyWKSWGLUEJSEQCZ-JXMROGBWSA-N
XLogP2.50
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine (CID 146512039) is 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine is NC/C(=C\F)COc1ccc(-c2nc(NC3CC3)no2)cc1.
What is the InChIKey of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
The InChIKey is WKSWGLUEJSEQCZ-JXMROGBWSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-7-10(8-17)9-21-13-5-1-11(2-6-13)14-19-15(20-22-14)18-12-3-4-12/h1-2,5-7,12H,3-4,8-9,17H2,(H,18,20)/b10-7+.
What are the key properties of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,2,4-oxadiazol-3-amine has a molecular weight of 304.33 g/mol, XLogP of 2.50, 7 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]-N-cyclopropyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 146512039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).