(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine

C24H16F3N3O2 — CID 142505445

IUPAC(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESFC(F)(F)c1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)20-9-5-16(6-10-20)15-32-28-14-21-22(29-23-30(21)11-12-31-23)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2/b28-14+
InChIKeyYNPJUDOGHKZVIK-CCVNUDIWSA-N
MW435.41 g/mol
LogP6.32
Rot. Bonds5

About (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine

(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (PubChem CID 142505445) has the molecular formula C24H16F3N3O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
PubChem CID142505445
Molecular FormulaC24H16F3N3O2
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
SMILESFC(F)(F)c1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)20-9-5-16(6-10-20)15-32-28-14-21-22(29-23-30(21)11-12-31-23)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2/b28-14+
InChIKeyYNPJUDOGHKZVIK-CCVNUDIWSA-N
XLogP6.32
TPSA52.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The IUPAC name of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine (CID 142505445) is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine.
What is the SMILES notation for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The canonical SMILES for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is FC(F)(F)c1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1.
What is the InChIKey of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
The InChIKey is YNPJUDOGHKZVIK-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H16F3N3O2/c25-24(26,27)20-9-5-16(6-10-20)15-32-28-14-21-22(29-23-30(21)11-12-31-23)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2/b28-14+.
What are the key properties of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine?
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine has a molecular weight of 435.41 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine is sourced from PubChem (CID 142505445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).