[4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate

C20H19N3O3 — CID 917267

IUPAC[4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
SMILESCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C20H19N3O3/c1-14(24)25-20-18(22-19(26-20)15-7-5-4-6-8-15)13-21-16-9-11-17(12-10-16)23(2)3/h4-13H,1-3H3/b21-13+
InChIKeyZEBMTXIQUQOFLU-FYJGNVAPSA-N
MW349.39 g/mol
LogP4.08
Rot. Bonds5

About [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate

[4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate (PubChem CID 917267) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
PubChem CID917267
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate
SMILESCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(N(C)C)cc1
InChIInChI=1S/C20H19N3O3/c1-14(24)25-20-18(22-19(26-20)15-7-5-4-6-8-15)13-21-16-9-11-17(12-10-16)23(2)3/h4-13H,1-3H3/b21-13+
InChIKeyZEBMTXIQUQOFLU-FYJGNVAPSA-N
XLogP4.08
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The IUPAC name of [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate (CID 917267) is [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate.
What is the SMILES notation for [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The canonical SMILES for [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate is CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(N(C)C)cc1.
What is the InChIKey of [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
The InChIKey is ZEBMTXIQUQOFLU-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(24)25-20-18(22-19(26-20)15-7-5-4-6-8-15)13-21-16-9-11-17(12-10-16)23(2)3/h4-13H,1-3H3/b21-13+.
What are the key properties of [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate?
[4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate has a molecular weight of 349.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-yl] acetate is sourced from PubChem (CID 917267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).