3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

C20H20ClN3O4S — CID 17147423

IUPAC3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H20ClN3O4S/c1-12(2)24-29(26,27)15-10-8-14(9-11-15)22-20(25)18-13(3)28-23-19(18)16-6-4-5-7-17(16)21/h4-12,24H,1-3H3,(H,22,25)
InChIKeyCJVHSLPAKHAVKK-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.24
Rot. Bonds6

About 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 17147423) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID17147423
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H20ClN3O4S/c1-12(2)24-29(26,27)15-10-8-14(9-11-15)22-20(25)18-13(3)28-23-19(18)16-6-4-5-7-17(16)21/h4-12,24H,1-3H3,(H,22,25)
InChIKeyCJVHSLPAKHAVKK-UHFFFAOYSA-N
XLogP4.24
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 19176544
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
N-[4-(tert-butylsulfamoyl)phenyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3384890
3-(2-chlorophenyl)-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-4-carboxamide
CID 17488472
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-(3-carbamoyl-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166186406
3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3443084
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 112796045
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-4-carboxamide
CID 87032432
3-(2-chlorophenyl)-5-methyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 43975061

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 17147423) is 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is CJVHSLPAKHAVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-12(2)24-29(26,27)15-10-8-14(9-11-15)22-20(25)18-13(3)28-23-19(18)16-6-4-5-7-17(16)21/h4-12,24H,1-3H3,(H,22,25).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17147423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).