(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine

C23H17N3O2 — CID 142505434

IUPAC(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine
SMILESC(=N/OCc1ccccc1)\c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C23H17N3O2/c1-2-6-17(7-3-1)16-28-24-15-21-22(25-23-26(21)12-13-27-23)20-11-10-18-8-4-5-9-19(18)14-20/h1-15H,16H2/b24-15+
InChIKeySVQBGUVLKWLPPT-BUVRLJJBSA-N
MW367.41 g/mol
LogP5.30
Rot. Bonds5

About (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine

(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine (PubChem CID 142505434) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine
PubChem CID142505434
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine
SMILESC(=N/OCc1ccccc1)\c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C23H17N3O2/c1-2-6-17(7-3-1)16-28-24-15-21-22(25-23-26(21)12-13-27-23)20-11-10-18-8-4-5-9-19(18)14-20/h1-15H,16H2/b24-15+
InChIKeySVQBGUVLKWLPPT-BUVRLJJBSA-N
XLogP5.30
TPSA52.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.30
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-phenylmethoxymethanimine?
The IUPAC name of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine (CID 142505434) is (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine is C(=N/OCc1ccccc1)\c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine?
The InChIKey is SVQBGUVLKWLPPT-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-2-6-17(7-3-1)16-28-24-15-21-22(25-23-26(21)12-13-27-23)20-11-10-18-8-4-5-9-19(18)14-20/h1-15H,16H2/b24-15+.
What are the key properties of (E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine?
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-phenylmethoxymethanimine has a molecular weight of 367.41 g/mol, XLogP of 5.30, 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-phenylmethoxymethanimine is sourced from PubChem (CID 142505434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).