N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C21H23N3O5S — CID 24564160

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C21H23N3O5S/c1-4-24(5-2)30(27,28)16-11-12-18(25)17(13-16)22-21(26)19-14(3)29-23-20(19)15-9-7-6-8-10-15/h6-13,25H,4-5H2,1-3H3,(H,22,26)
InChIKeyHAJXZHDQGFVHNG-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.64
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 24564160) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID24564160
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C21H23N3O5S/c1-4-24(5-2)30(27,28)16-11-12-18(25)17(13-16)22-21(26)19-14(3)29-23-20(19)15-9-7-6-8-10-15/h6-13,25H,4-5H2,1-3H3,(H,22,26)
InChIKeyHAJXZHDQGFVHNG-UHFFFAOYSA-N
XLogP3.64
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4795536
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24564260
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 29251421
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
N-(2-ethylquinolin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 75450815
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16560707
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 24564160) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is HAJXZHDQGFVHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-4-24(5-2)30(27,28)16-11-12-18(25)17(13-16)22-21(26)19-14(3)29-23-20(19)15-9-7-6-8-10-15/h6-13,25H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24564160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).