N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H20ClN3O5S — CID 30270506

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H20ClN3O5S/c1-3-14-16(11(2)26-20-14)17(22)19-12-4-5-13(18)15(10-12)27(23,24)21-6-8-25-9-7-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyWLKQNCJPIBTAAC-UHFFFAOYSA-N
MW413.88 g/mol
LogP2.47
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 30270506) has the molecular formula C17H20ClN3O5S and a molecular weight of 413.88 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID30270506
Molecular FormulaC17H20ClN3O5S
Molecular Weight413.88 g/mol
Exact Mass413.08
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H20ClN3O5S/c1-3-14-16(11(2)26-20-14)17(22)19-12-4-5-13(18)15(10-12)27(23,24)21-6-8-25-9-7-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyWLKQNCJPIBTAAC-UHFFFAOYSA-N
XLogP2.47
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 9183600
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 6468193
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55817712
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8896388
3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9479423
ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600436
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 30270506) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WLKQNCJPIBTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O5S/c1-3-14-16(11(2)26-20-14)17(22)19-12-4-5-13(18)15(10-12)27(23,24)21-6-8-25-9-7-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 413.88 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 30270506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).