(E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine

C18H17N3O3 — CID 15954167

IUPAC(E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine
SMILESC/C(=N\OCc1nnc(COc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-14(15-8-4-2-5-9-15)21-23-13-18-20-19-17(24-18)12-22-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3/b21-14+
InChIKeyUHSMTSCXWLNYQZ-KGENOOAVSA-N
MW323.35 g/mol
LogP3.59
Rot. Bonds7

About (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine

(E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine (PubChem CID 15954167) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine
PubChem CID15954167
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine
SMILESC/C(=N\OCc1nnc(COc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-14(15-8-4-2-5-9-15)21-23-13-18-20-19-17(24-18)12-22-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3/b21-14+
InChIKeyUHSMTSCXWLNYQZ-KGENOOAVSA-N
XLogP3.59
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine?
The IUPAC name of (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine (CID 15954167) is (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine.
What is the SMILES notation for (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine?
The canonical SMILES for (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine is C/C(=N\OCc1nnc(COc2ccccc2)o1)c1ccccc1.
What is the InChIKey of (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine?
The InChIKey is UHSMTSCXWLNYQZ-KGENOOAVSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-14(15-8-4-2-5-9-15)21-23-13-18-20-19-17(24-18)12-22-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3/b21-14+.
What are the key properties of (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine?
(E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine has a molecular weight of 323.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-phenylethanimine is sourced from PubChem (CID 15954167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).