5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride

C15H17ClN2O5S — CID 53212039

IUPAC5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride
SMILESCCC(=O)Nc1onc(CC)c1-c1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C15H17ClN2O5S/c1-4-10-14(15(23-18-10)17-13(19)5-2)9-6-7-11(22-3)12(8-9)24(16,20)21/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeyXYNOIERAVGTPHA-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.19
Rot. Bonds6

About 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride

5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride (PubChem CID 53212039) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride
PubChem CID53212039
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC Name5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride
SMILESCCC(=O)Nc1onc(CC)c1-c1ccc(OC)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C15H17ClN2O5S/c1-4-10-14(15(23-18-10)17-13(19)5-2)9-6-7-11(22-3)12(8-9)24(16,20)21/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeyXYNOIERAVGTPHA-UHFFFAOYSA-N
XLogP3.19
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133219
N-[4-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133239
N-[3-ethyl-4-[4-methoxy-3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133245
ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 53133193
N-[4-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133276
N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 95092633
N-[4-[4-methoxy-3-[(4-methylphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133157
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 53133267
N-[4-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133073
N-[4-[3-[(4-chloro-2-methylphenyl)sulfamoyl]-4-methoxyphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53133079
N-[3-ethyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133346
N-[3-ethyl-4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1,2-oxazol-5-yl]acetamide
CID 53133348

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride (CID 53212039) is 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride is CCC(=O)Nc1onc(CC)c1-c1ccc(OC)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride?
The InChIKey is XYNOIERAVGTPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c1-4-10-14(15(23-18-10)17-13(19)5-2)9-6-7-11(22-3)12(8-9)24(16,20)21/h6-8H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride?
5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride has a molecular weight of 372.83 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-5-(propanoylamino)-1,2-oxazol-4-yl]-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 53212039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).