(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

C13H14FN3O2 — CID 146512034

IUPAC(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)no1
InChIInChI=1S/C13H14FN3O2/c1-9-16-13(17-19-9)11-2-4-12(5-3-11)18-8-10(6-14)7-15/h2-6H,7-8,15H2,1H3/b10-6+
InChIKeyXVIJJGQIDYIKQV-UXBLZVDNSA-N
MW263.27 g/mol
LogP2.24
Rot. Bonds5

About (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512034) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146512034
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCc1nc(-c2ccc(OC/C(=C/F)CN)cc2)no1
InChIInChI=1S/C13H14FN3O2/c1-9-16-13(17-19-9)11-2-4-12(5-3-11)18-8-10(6-14)7-15/h2-6H,7-8,15H2,1H3/b10-6+
InChIKeyXVIJJGQIDYIKQV-UXBLZVDNSA-N
XLogP2.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146512034) is (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is Cc1nc(-c2ccc(OC/C(=C/F)CN)cc2)no1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is XVIJJGQIDYIKQV-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-9-16-13(17-19-9)11-2-4-12(5-3-11)18-8-10(6-14)7-15/h2-6H,7-8,15H2,1H3/b10-6+.
What are the key properties of (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 263.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146512034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).