3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one

C21H20N2O3 — CID 90940702

IUPAC3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
SMILESCCOc1ccc(/N=C/C(C(=O)c2ccccc2)c2cc(C)no2)cc1
InChIInChI=1S/C21H20N2O3/c1-3-25-18-11-9-17(10-12-18)22-14-19(20-13-15(2)23-26-20)21(24)16-7-5-4-6-8-16/h4-14,19H,3H2,1-2H3/b22-14+
InChIKeyBQCZCSPLMVGBLV-HYARGMPZSA-N
MW348.40 g/mol
LogP4.75
Rot. Bonds7

About 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one

3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one (PubChem CID 90940702) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
PubChem CID90940702
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one
SMILESCCOc1ccc(/N=C/C(C(=O)c2ccccc2)c2cc(C)no2)cc1
InChIInChI=1S/C21H20N2O3/c1-3-25-18-11-9-17(10-12-18)22-14-19(20-13-15(2)23-26-20)21(24)16-7-5-4-6-8-16/h4-14,19H,3H2,1-2H3/b22-14+
InChIKeyBQCZCSPLMVGBLV-HYARGMPZSA-N
XLogP4.75
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(4-chlorophenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one
CID 91469949
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one
CID 90957038
dimethyl 2-[(4-ethoxyphenyl)iminomethyl]propanedioate
CID 54394653
1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
CID 91190415
ethyl 3-(4-bromophenyl)imino-2-phenylpropanoate
CID 86716060
2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
CID 43799769
benzamide;1,4-diethoxybenzene
CID 162120306
1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone
CID 13115431
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
4-ethoxy-N-[3-(4-ethoxyphenyl)imino-2-phenylprop-1-enyl]aniline
CID 3537929
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one (CID 90940702) is 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one is CCOc1ccc(/N=C/C(C(=O)c2ccccc2)c2cc(C)no2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
The InChIKey is BQCZCSPLMVGBLV-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-25-18-11-9-17(10-12-18)22-14-19(20-13-15(2)23-26-20)21(24)16-7-5-4-6-8-16/h4-14,19H,3H2,1-2H3/b22-14+.
What are the key properties of 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one?
3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one has a molecular weight of 348.40 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)imino-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 90940702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).