methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate

C26H31N3O7S — CID 69362527

IUPACmethyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate
SMILESCOC(=O)CN(Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H31N3O7S/c1-19-4-8-22(9-5-19)26-27-24(20(2)36-26)18-35-23-10-6-21(7-11-23)16-29(17-25(30)33-3)37(31,32)28-12-14-34-15-13-28/h4-11H,12-18H2,1-3H3
InChIKeyXTASKUNLVRFFQX-UHFFFAOYSA-N
MW529.62 g/mol
LogP3.09
Rot. Bonds10

About methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate

methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate (PubChem CID 69362527) has the molecular formula C26H31N3O7S and a molecular weight of 529.62 g/mol. Its IUPAC name is methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate
PubChem CID69362527
Molecular FormulaC26H31N3O7S
Molecular Weight529.62 g/mol
Exact Mass529.19
IUPAC Namemethyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate
SMILESCOC(=O)CN(Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C26H31N3O7S/c1-19-4-8-22(9-5-19)26-27-24(20(2)36-26)18-35-23-10-6-21(7-11-23)16-29(17-25(30)33-3)37(31,32)28-12-14-34-15-13-28/h4-11H,12-18H2,1-3H3
InChIKeyXTASKUNLVRFFQX-UHFFFAOYSA-N
XLogP3.09
TPSA111.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate with MolForge

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Related Compounds

methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-pyrrolidin-1-ylsulfonylamino]acetate
CID 69361242
methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate
CID 69362577
methyl 2-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-pyrrolidin-1-ylsulfonylamino]acetate
CID 69363364
2-[2-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-pyrrolidin-1-ylsulfonylamino]acetic acid
CID 69360965
methyl 2-[(4-phenylmethoxyphenyl)methyl-pyrrolidin-1-ylsulfonylamino]acetate
CID 69361087
2-[dimethylsulfamoyl-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11504651
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(methylsulfamoyl)amino]acetic acid
CID 91438051
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
2-[[methyl(phenyl)sulfamoyl]-[[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 11505256
methyl 2-[1-[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetate
CID 69445847
[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 20916689

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate?
The IUPAC name of methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate (CID 69362527) is methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate?
The canonical SMILES for methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate is COC(=O)CN(Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate?
The InChIKey is XTASKUNLVRFFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O7S/c1-19-4-8-22(9-5-19)26-27-24(20(2)36-26)18-35-23-10-6-21(7-11-23)16-29(17-25(30)33-3)37(31,32)28-12-14-34-15-13-28/h4-11H,12-18H2,1-3H3.
What are the key properties of methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate?
methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate has a molecular weight of 529.62 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino]acetate is sourced from PubChem (CID 69362527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).