[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C25H28N2O6 — CID 55422617

IUPAC[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1ccc(CCNC(=O)C(C)OC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C25H28N2O6/c1-16-22(17(2)33-27-16)15-31-23-8-6-5-7-21(23)25(29)32-18(3)24(28)26-14-13-19-9-11-20(30-4)12-10-19/h5-12,18H,13-15H2,1-4H3,(H,26,28)
InChIKeyDEPLRNAEGPCECC-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.78
Rot. Bonds10

About [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 55422617) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID55422617
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1ccc(CCNC(=O)C(C)OC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C25H28N2O6/c1-16-22(17(2)33-27-16)15-31-23-8-6-5-7-21(23)25(29)32-18(3)24(28)26-14-13-19-9-11-20(30-4)12-10-19/h5-12,18H,13-15H2,1-4H3,(H,26,28)
InChIKeyDEPLRNAEGPCECC-UHFFFAOYSA-N
XLogP3.78
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate 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

[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55310114
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55423565
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46675040
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976561
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55310123
2-phenylethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55335080
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 55310608
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 55422617) is [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is COc1ccc(CCNC(=O)C(C)OC(=O)c2ccccc2OCc2c(C)noc2C)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is DEPLRNAEGPCECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-16-22(17(2)33-27-16)15-31-23-8-6-5-7-21(23)25(29)32-18(3)24(28)26-14-13-19-9-11-20(30-4)12-10-19/h5-12,18H,13-15H2,1-4H3,(H,26,28).
What are the key properties of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 452.51 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 55422617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).