ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate

C26H32N2O4 — CID 58964667

IUPACethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(CNCc2nc(-c3ccccc3)oc2C)cc1C
InChIInChI=1S/C26H32N2O4/c1-7-30-25(29)26(5,6)32-23-17(2)13-20(14-18(23)3)15-27-16-22-19(4)31-24(28-22)21-11-9-8-10-12-21/h8-14,27H,7,15-16H2,1-6H3
InChIKeyVILPDOQPMCMSBK-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.28
Rot. Bonds9

About ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate

ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate (PubChem CID 58964667) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate
PubChem CID58964667
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Nameethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(CNCc2nc(-c3ccccc3)oc2C)cc1C
InChIInChI=1S/C26H32N2O4/c1-7-30-25(29)26(5,6)32-23-17(2)13-20(14-18(23)3)15-27-16-22-19(4)31-24(28-22)21-11-9-8-10-12-21/h8-14,27H,7,15-16H2,1-6H3
InChIKeyVILPDOQPMCMSBK-UHFFFAOYSA-N
XLogP5.28
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate with MolForge

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Related Compounds

ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate
CID 71497486
ethyl 2-[4-[[[2-(cyclopropylamino)-2-oxoethyl]-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 23159323
ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 23159238
2-[4-[[bis[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 23159283
ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
ethyl 2-[4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 143430338
2-[2-[[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3,5-dimethylphenyl]methylamino]methyl]-1,3-oxazol-4-yl]acetic acid
CID 23159251
ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 143430315
2-[2,6-dimethyl-4-[[[methyl-(methylideneamino)carbamoyl]oxymethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 143430445
ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 23589999
2-[2-fluoro-6-methoxy-4-[[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-oxazol-2-yl]methylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 23159319
ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 69232281

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate (CID 58964667) is ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1c(C)cc(CNCc2nc(-c3ccccc3)oc2C)cc1C.
What is the InChIKey of ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate?
The InChIKey is VILPDOQPMCMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-7-30-25(29)26(5,6)32-23-17(2)13-20(14-18(23)3)15-27-16-22-19(4)31-24(28-22)21-11-9-8-10-12-21/h8-14,27H,7,15-16H2,1-6H3.
What are the key properties of ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate?
ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate has a molecular weight of 436.55 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 58964667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).