methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate

C19H15Cl2N3O6S — CID 108768562

IUPACmethyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H15Cl2N3O6S/c1-29-19(26)15-16(14-12(20)4-3-5-13(14)21)23-30-18(15)22-17(25)10-6-8-11(9-7-10)24-31(2,27)28/h3-9,24H,1-2H3,(H,22,25)
InChIKeyBWXFXTUPVYKVHR-UHFFFAOYSA-N
MW484.32 g/mol
LogP4.06
Rot. Bonds6

About methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate

methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate (PubChem CID 108768562) has the molecular formula C19H15Cl2N3O6S and a molecular weight of 484.32 g/mol. Its IUPAC name is methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate
PubChem CID108768562
Molecular FormulaC19H15Cl2N3O6S
Molecular Weight484.32 g/mol
Exact Mass483.01
IUPAC Namemethyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H15Cl2N3O6S/c1-29-19(26)15-16(14-12(20)4-3-5-13(14)21)23-30-18(15)22-17(25)10-6-8-11(9-7-10)24-31(2,27)28/h3-9,24H,1-2H3,(H,22,25)
InChIKeyBWXFXTUPVYKVHR-UHFFFAOYSA-N
XLogP4.06
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-(2,6-dichlorophenyl)-5-[(3-methoxycarbonylbenzoyl)amino]-1,2-oxazole-4-carboxylate
CID 108746352
methyl 3-(2,6-dichlorophenyl)-5-[[3-(2-methylpropoxy)benzoyl]amino]-1,2-oxazole-4-carboxylate
CID 108746239
dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
CID 2726491
methyl 3-(2,6-dichlorophenyl)-5-(ethylcarbamothioylamino)-1,2-oxazole-4-carboxylate
CID 108783853
methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783849
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 22176607
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
methyl 5-(cyclohexylcarbamothioylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783852
methyl 3-(2,6-dichlorophenyl)-5-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-1,2-oxazole-4-carboxylate
CID 108768569
methyl 3-(2,6-dichlorophenyl)-5-[4-(2,6-dimethylphenoxy)butanoylamino]-1,2-oxazole-4-carboxylate
CID 108768600
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate (CID 108768562) is methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate?
The InChIKey is BWXFXTUPVYKVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O6S/c1-29-19(26)15-16(14-12(20)4-3-5-13(14)21)23-30-18(15)22-17(25)10-6-8-11(9-7-10)24-31(2,27)28/h3-9,24H,1-2H3,(H,22,25).
What are the key properties of methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate?
methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate has a molecular weight of 484.32 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-dichlorophenyl)-5-[[4-(methanesulfonamido)benzoyl]amino]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 108768562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).