[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C28H26N2O6 — CID 46675040

IUPAC[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O6/c1-18-24(19(2)36-30-18)17-34-25-12-8-7-11-23(25)28(32)35-26(20-9-5-4-6-10-20)27(31)29-21-13-15-22(33-3)16-14-21/h4-16,26H,17H2,1-3H3,(H,29,31)
InChIKeyAENZVRMYDSTMSX-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.42
Rot. Bonds9

About [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 46675040) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID46675040
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC Name[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1ccc(NC(=O)C(OC(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O6/c1-18-24(19(2)36-30-18)17-34-25-12-8-7-11-23(25)28(32)35-26(20-9-5-4-6-10-20)27(31)29-21-13-15-22(33-3)16-14-21/h4-16,26H,17H2,1-3H3,(H,29,31)
InChIKeyAENZVRMYDSTMSX-UHFFFAOYSA-N
XLogP5.42
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55422617
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 42977670
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55310123
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-amino-3-methylbenzoate
CID 46675498
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548296
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 46675040) is [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is COc1ccc(NC(=O)C(OC(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is AENZVRMYDSTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-18-24(19(2)36-30-18)17-34-25-12-8-7-11-23(25)28(32)35-26(20-9-5-4-6-10-20)27(31)29-21-13-15-22(33-3)16-14-21/h4-16,26H,17H2,1-3H3,(H,29,31).
What are the key properties of [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 486.52 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 46675040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).