methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate

C17H21N3O7S — CID 42663746

IUPACmethyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H21N3O7S/c1-12(21)18-13-4-6-14(7-5-13)28(23,24)20(8-9-25-2)10-16-19-15(11-27-16)17(22)26-3/h4-7,11H,8-10H2,1-3H3,(H,18,21)
InChIKeyRGNOVEOMUCKOFE-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.26
Rot. Bonds9

About methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 42663746) has the molecular formula C17H21N3O7S and a molecular weight of 411.44 g/mol. Its IUPAC name is methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID42663746
Molecular FormulaC17H21N3O7S
Molecular Weight411.44 g/mol
Exact Mass411.11
IUPAC Namemethyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H21N3O7S/c1-12(21)18-13-4-6-14(7-5-13)28(23,24)20(8-9-25-2)10-16-19-15(11-27-16)17(22)26-3/h4-7,11H,8-10H2,1-3H3,(H,18,21)
InChIKeyRGNOVEOMUCKOFE-UHFFFAOYSA-N
XLogP1.26
TPSA128.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[[(4-acetamidophenyl)sulfonyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3637655
methyl 2-[[(4-fluorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3670767
methyl 2-[[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]-1,3-oxazole-4-carboxylate
CID 3671123
methyl 2-[[3-methoxypropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 4013634
methyl 2-[[3-methylbutyl(methylsulfonyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766958
methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4539284
methyl 2-[[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4265422
methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3307425
methyl 2-[[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4030458
methyl 2-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766659
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3458352
methyl 2-[[(4-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4004369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 42663746) is methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate is COCCN(Cc1nc(C(=O)OC)co1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is RGNOVEOMUCKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O7S/c1-12(21)18-13-4-6-14(7-5-13)28(23,24)20(8-9-25-2)10-16-19-15(11-27-16)17(22)26-3/h4-7,11H,8-10H2,1-3H3,(H,18,21).
What are the key properties of methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 411.44 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 42663746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).