N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C21H23N3O4S — CID 55668639

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)on2)cc1
InChIInChI=1S/C21H23N3O4S/c1-14-8-10-15(11-9-14)18-13-19(28-23-18)20(25)22-16-6-5-7-17(12-16)29(26,27)24-21(2,3)4/h5-13,24H,1-4H3,(H,22,25)
InChIKeyWRMBOQKFXQWHKP-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.98
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 55668639) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID55668639
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)on2)cc1
InChIInChI=1S/C21H23N3O4S/c1-14-8-10-15(11-9-14)18-13-19(28-23-18)20(25)22-16-6-5-7-17(12-16)29(26,27)24-21(2,3)4/h5-13,24H,1-4H3,(H,22,25)
InChIKeyWRMBOQKFXQWHKP-UHFFFAOYSA-N
XLogP3.98
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 55668639) is N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)on2)cc1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is WRMBOQKFXQWHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14-8-10-15(11-9-14)18-13-19(28-23-18)20(25)22-16-6-5-7-17(12-16)29(26,27)24-21(2,3)4/h5-13,24H,1-4H3,(H,22,25).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55668639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).