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

C18H16FN3O2 — CID 146512024

IUPAC(E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H16FN3O2/c19-10-13(11-20)12-23-16-8-6-15(7-9-16)18-21-17(22-24-18)14-4-2-1-3-5-14/h1-10H,11-12,20H2/b13-10+
InChIKeyFGSSFWJLHYKGRD-JLHYYAGUSA-N
MW325.34 g/mol
LogP3.59
Rot. Bonds6

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

(E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512024) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146512024
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name(E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H16FN3O2/c19-10-13(11-20)12-23-16-8-6-15(7-9-16)18-21-17(22-24-18)14-4-2-1-3-5-14/h1-10H,11-12,20H2/b13-10+
InChIKeyFGSSFWJLHYKGRD-JLHYYAGUSA-N
XLogP3.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.59
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-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146512024) is (E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is NC/C(=C\F)COc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is FGSSFWJLHYKGRD-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-10-13(11-20)12-23-16-8-6-15(7-9-16)18-21-17(22-24-18)14-4-2-1-3-5-14/h1-10H,11-12,20H2/b13-10+.
What are the key properties of (E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 325.34 g/mol, XLogP of 3.59, 6 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-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146512024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).