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

C27H34N4O6S — CID 69362577

IUPACmethyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate
SMILESCOC(=O)CN(Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1)S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C27H34N4O6S/c1-20-5-9-23(10-6-20)27-28-25(21(2)37-27)19-36-24-11-7-22(8-12-24)17-31(18-26(32)35-4)38(33,34)30-15-13-29(3)14-16-30/h5-12H,13-19H2,1-4H3
InChIKeyXSMDSBQLVVKSHY-UHFFFAOYSA-N
MW542.66 g/mol
LogP3.00
Rot. Bonds10

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

methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate (PubChem CID 69362577) has the molecular formula C27H34N4O6S and a molecular weight of 542.66 g/mol. Its IUPAC name is methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate
PubChem CID69362577
Molecular FormulaC27H34N4O6S
Molecular Weight542.66 g/mol
Exact Mass542.22
IUPAC Namemethyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate
SMILESCOC(=O)CN(Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1)S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C27H34N4O6S/c1-20-5-9-23(10-6-20)27-28-25(21(2)37-27)19-36-24-11-7-22(8-12-24)17-31(18-26(32)35-4)38(33,34)30-15-13-29(3)14-16-30/h5-12H,13-19H2,1-4H3
InChIKeyXSMDSBQLVVKSHY-UHFFFAOYSA-N
XLogP3.00
TPSA105.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.66
LogP ≤ 53.00
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-(4-methylpiperazin-1-yl)sulfonylamino]acetate 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

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-morpholin-4-ylsulfonylamino]acetate
CID 69362527
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-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(methylsulfamoyl)amino]acetic acid
CID 91438051
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
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-(4-methylpiperazin-1-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate (CID 69362577) is methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate is COC(=O)CN(Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1)S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate?
The InChIKey is XSMDSBQLVVKSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6S/c1-20-5-9-23(10-6-20)27-28-25(21(2)37-27)19-36-24-11-7-22(8-12-24)17-31(18-26(32)35-4)38(33,34)30-15-13-29(3)14-16-30/h5-12H,13-19H2,1-4H3.
What are the key properties of methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate?
methyl 2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(4-methylpiperazin-1-yl)sulfonylamino]acetate has a molecular weight of 542.66 g/mol, XLogP of 3.00, 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-(4-methylpiperazin-1-yl)sulfonylamino]acetate is sourced from PubChem (CID 69362577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).