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

C27H25N3O2 — CID 155535509

IUPAC(E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine
SMILESCC(C)(C)c1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1
InChIInChI=1S/C27H25N3O2/c1-27(2,3)23-12-8-19(9-13-23)18-32-28-17-24-25(29-26-30(24)14-15-31-26)22-11-10-20-6-4-5-7-21(20)16-22/h4-17H,18H2,1-3H3/b28-17+
InChIKeyXAEMRWHYVDTZIJ-OGLMXYFKSA-N
MW423.52 g/mol
LogP6.60
Rot. Bonds5

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

(E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine (PubChem CID 155535509) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine
PubChem CID155535509
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name(E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine
SMILESCC(C)(C)c1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1
InChIInChI=1S/C27H25N3O2/c1-27(2,3)23-12-8-19(9-13-23)18-32-28-17-24-25(29-26-30(24)14-15-31-26)22-11-10-20-6-4-5-7-21(20)16-22/h4-17H,18H2,1-3H3/b28-17+
InChIKeyXAEMRWHYVDTZIJ-OGLMXYFKSA-N
XLogP6.60
TPSA52.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 56.60
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)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine?
The IUPAC name of (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine (CID 155535509) is (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine.
What is the SMILES notation for (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine?
The canonical SMILES for (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine is CC(C)(C)c1ccc(CO/N=C/c2c(-c3ccc4ccccc4c3)nc3occn23)cc1.
What is the InChIKey of (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine?
The InChIKey is XAEMRWHYVDTZIJ-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-27(2,3)23-12-8-19(9-13-23)18-32-28-17-24-25(29-26-30(24)14-15-31-26)22-11-10-20-6-4-5-7-21(20)16-22/h4-17H,18H2,1-3H3/b28-17+.
What are the key properties of (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine?
(E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine has a molecular weight of 423.52 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-tert-butylphenyl)methoxy]-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)methanimine is sourced from PubChem (CID 155535509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).