(E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

C16H20FN3O2 — CID 146512225

IUPAC(E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCC(C)(C)c1nc(-c2ccc(OC/C(=C/F)CN)cc2)no1
InChIInChI=1S/C16H20FN3O2/c1-16(2,3)15-19-14(20-22-15)12-4-6-13(7-5-12)21-10-11(8-17)9-18/h4-8H,9-10,18H2,1-3H3/b11-8+
InChIKeyZYLKBHIJOVOSCO-DHZHZOJOSA-N
MW305.35 g/mol
LogP3.22
Rot. Bonds5

About (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

(E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 146512225) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID146512225
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESCC(C)(C)c1nc(-c2ccc(OC/C(=C/F)CN)cc2)no1
InChIInChI=1S/C16H20FN3O2/c1-16(2,3)15-19-14(20-22-15)12-4-6-13(7-5-12)21-10-11(8-17)9-18/h4-8H,9-10,18H2,1-3H3/b11-8+
InChIKeyZYLKBHIJOVOSCO-DHZHZOJOSA-N
XLogP3.22
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 146512225) is (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is CC(C)(C)c1nc(-c2ccc(OC/C(=C/F)CN)cc2)no1.
What is the InChIKey of (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is ZYLKBHIJOVOSCO-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-16(2,3)15-19-14(20-22-15)12-4-6-13(7-5-12)21-10-11(8-17)9-18/h4-8H,9-10,18H2,1-3H3/b11-8+.
What are the key properties of (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 305.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 146512225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).