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

C29H21N3O3 — CID 155566505

IUPAC(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine
SMILESC(=N/OCc1ccc(Oc2ccccc2)cc1)\c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C29H21N3O3/c1-2-8-25(9-3-1)35-26-14-10-21(11-15-26)20-34-30-19-27-28(31-29-32(27)16-17-33-29)24-13-12-22-6-4-5-7-23(22)18-24/h1-19H,20H2/b30-19+
InChIKeyDLFKZTMLENBWIB-NDZAJKAJSA-N
MW459.51 g/mol
LogP7.09
Rot. Bonds7

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

(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine (PubChem CID 155566505) has the molecular formula C29H21N3O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine
PubChem CID155566505
Molecular FormulaC29H21N3O3
Molecular Weight459.51 g/mol
Exact Mass459.16
IUPAC Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine
SMILESC(=N/OCc1ccc(Oc2ccccc2)cc1)\c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C29H21N3O3/c1-2-8-25(9-3-1)35-26-14-10-21(11-15-26)20-34-30-19-27-28(31-29-32(27)16-17-33-29)24-13-12-22-6-4-5-7-23(22)18-24/h1-19H,20H2/b30-19+
InChIKeyDLFKZTMLENBWIB-NDZAJKAJSA-N
XLogP7.09
TPSA61.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 57.09
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)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine (CID 155566505) is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine is C(=N/OCc1ccc(Oc2ccccc2)cc1)\c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine?
The InChIKey is DLFKZTMLENBWIB-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H21N3O3/c1-2-8-25(9-3-1)35-26-14-10-21(11-15-26)20-34-30-19-27-28(31-29-32(27)16-17-33-29)24-13-12-22-6-4-5-7-23(22)18-24/h1-19H,20H2/b30-19+.
What are the key properties of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine?
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[(4-phenoxyphenyl)methoxy]methanimine has a molecular weight of 459.51 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 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-phenoxyphenyl)methoxy]methanimine is sourced from PubChem (CID 155566505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).