4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole

C13H17N3O3S — CID 110669886

IUPAC4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)19-14-9)11-5-7-12(8-6-11)15-20(17,18)16(3)4/h5-8,15H,1-4H3
InChIKeyNQNUGNKGQYDCFT-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.18
Rot. Bonds4

About 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole

4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 110669886) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
PubChem CID110669886
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)19-14-9)11-5-7-12(8-6-11)15-20(17,18)16(3)4/h5-8,15H,1-4H3
InChIKeyNQNUGNKGQYDCFT-UHFFFAOYSA-N
XLogP2.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide
CID 110669884
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 110669901
2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole
CID 75422382
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 53054335

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole (CID 110669886) is 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NQNUGNKGQYDCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-13(10(2)19-14-9)11-5-7-12(8-6-11)15-20(17,18)16(3)4/h5-8,15H,1-4H3.
What are the key properties of 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole?
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 295.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 110669886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).