2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine

C23H20N2O — CID 57270516

IUPAC2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine
SMILES[H]/N=C(/C=C1Oc2ccc(-c3ccccc3)cc2N1CC)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-2-25-21-15-19(17-9-5-3-6-10-17)13-14-22(21)26-23(25)16-20(24)18-11-7-4-8-12-18/h3-16,24H,2H2,1H3/b23-16?,24-20-
InChIKeyFCJBQOJOHYTXQO-JEYSLKMWSA-N
MW340.43 g/mol
LogP5.48
Rot. Bonds4

About 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine

2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine (PubChem CID 57270516) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine.

Molecular Properties

Compound Name2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine
PubChem CID57270516
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine
SMILES[H]/N=C(/C=C1Oc2ccc(-c3ccccc3)cc2N1CC)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-2-25-21-15-19(17-9-5-3-6-10-17)13-14-22(21)26-23(25)16-20(24)18-11-7-4-8-12-18/h3-16,24H,2H2,1H3/b23-16?,24-20-
InChIKeyFCJBQOJOHYTXQO-JEYSLKMWSA-N
XLogP5.48
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine with MolForge

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

Launch Full Analysis

Related Compounds

(2Z)-3-ethyl-2-[(2Z)-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole
CID 6766745
3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
CID 2305177
3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole perchlorate
CID 73242382
3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-phenyl-2H-thiopyrano[2,3-d][1,3]oxazol-3-ium
CID 54025546
3-ethyl-2-[7-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-5-phenyl-1,3-benzoxazole
CID 123243456
3-[2-[3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
CID 53425636
3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-phenyl-2H-thiopyrano[2,3-d][1,3]oxazol-3-ium iodide
CID 88818921
ethene;[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-5-methoxy-1,3-benzoxazol-3-ium-3-yl]methanesulfonic acid
CID 91587623
[5-chloro-2-[(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]methanesulfonic acid
CID 59049133
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3-ethyl-5-phenyl-1,3-benzoxazole
CID 91983546
3-[2-[2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CID 123776006
[5-phenyl-2-[(Z)-2-[(E)-[5-phenyl-3-(sulfomethyl)-1,3-benzoxazol-2-ylidene]methyl]but-1-enyl]-1-benzofuran-3-yl]methanesulfonic acid
CID 59889873

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine?
The IUPAC name of 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine (CID 57270516) is 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine.
What is the SMILES notation for 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine?
The canonical SMILES for 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine is [H]/N=C(/C=C1Oc2ccc(-c3ccccc3)cc2N1CC)c1ccccc1.
What is the InChIKey of 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine?
The InChIKey is FCJBQOJOHYTXQO-JEYSLKMWSA-N. The full InChI is InChI=1S/C23H20N2O/c1-2-25-21-15-19(17-9-5-3-6-10-17)13-14-22(21)26-23(25)16-20(24)18-11-7-4-8-12-18/h3-16,24H,2H2,1H3/b23-16?,24-20-.
What are the key properties of 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine?
2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine has a molecular weight of 340.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)-1-phenylethanimine is sourced from PubChem (CID 57270516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).