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

C23H12F5N3O2 — CID 142505390

IUPAC(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESFc1c(F)c(F)c(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)c(F)c1F
InChIInChI=1S/C23H12F5N3O2/c24-17-15(18(25)20(27)21(28)19(17)26)11-33-29-10-16-22(30-23-31(16)7-8-32-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2/b29-10+
InChIKeyJNYDAGBXXMQUBO-VYVUJPJFSA-N
MW457.36 g/mol
LogP5.99
Rot. Bonds5

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

(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (PubChem CID 142505390) has the molecular formula C23H12F5N3O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
PubChem CID142505390
Molecular FormulaC23H12F5N3O2
Molecular Weight457.36 g/mol
Exact Mass457.08
IUPAC Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESFc1c(F)c(F)c(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)c(F)c1F
InChIInChI=1S/C23H12F5N3O2/c24-17-15(18(25)20(27)21(28)19(17)26)11-33-29-10-16-22(30-23-31(16)7-8-32-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2/b29-10+
InChIKeyJNYDAGBXXMQUBO-VYVUJPJFSA-N
XLogP5.99
TPSA52.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (CID 142505390) is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is Fc1c(F)c(F)c(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)c(F)c1F.
What is the InChIKey of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The InChIKey is JNYDAGBXXMQUBO-VYVUJPJFSA-N. The full InChI is InChI=1S/C23H12F5N3O2/c24-17-15(18(25)20(27)21(28)19(17)26)11-33-29-10-16-22(30-23-31(16)7-8-32-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2/b29-10+.
What are the key properties of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine has a molecular weight of 457.36 g/mol, XLogP of 5.99, 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-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is sourced from PubChem (CID 142505390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).