5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide

C14H15F3N4O4S — CID 170532296

IUPAC5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(N)=O)c(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C14H15F3N4O4S/c1-7-4-5-8(14(15,16)17)6-9(7)19-13-20-10(11(18)22)12(25-13)26(23,24)21(2)3/h4-6H,1-3H3,(H2,18,22)(H,19,20)
InChIKeySFTBTFBUINUAPU-UHFFFAOYSA-N
MW392.36 g/mol
LogP2.09
Rot. Bonds5

About 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide

5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 170532296) has the molecular formula C14H15F3N4O4S and a molecular weight of 392.36 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID170532296
Molecular FormulaC14H15F3N4O4S
Molecular Weight392.36 g/mol
Exact Mass392.08
IUPAC Name5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(N)=O)c(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C14H15F3N4O4S/c1-7-4-5-8(14(15,16)17)6-9(7)19-13-20-10(11(18)22)12(25-13)26(23,24)21(2)3/h4-6H,1-3H3,(H2,18,22)(H,19,20)
InChIKeySFTBTFBUINUAPU-UHFFFAOYSA-N
XLogP2.09
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834
N-[[3-(dimethylamino)-3-oxopropyl]-methylsulfamoyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549688
N-[[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]sulfonyl]-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549707
5-[2-methyl-5-(trifluoromethyl)anilino]furan-2-carboxylic acid
CID 66477754
N-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549852
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
N-(3-methylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549861
N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79504007
2-[2-methyl-5-(trifluoromethyl)anilino]-N-(4-phenylpiperazin-1-yl)sulfonyl-1,3-oxazole-4-carboxamide
CID 156549795
4-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80568831
N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549717
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide (CID 170532296) is 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is Cc1ccc(C(F)(F)F)cc1Nc1nc(C(N)=O)c(S(=O)(=O)N(C)C)o1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is SFTBTFBUINUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O4S/c1-7-4-5-8(14(15,16)17)6-9(7)19-13-20-10(11(18)22)12(25-13)26(23,24)21(2)3/h4-6H,1-3H3,(H2,18,22)(H,19,20).
What are the key properties of 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide?
5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170532296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).