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

C13H17N3O3S — CID 75422382

IUPAC2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(NS(=O)(=O)N(C)C)cc2)oc1C
InChIInChI=1S/C13H17N3O3S/c1-9-10(2)19-13(14-9)11-5-7-12(8-6-11)15-20(17,18)16(3)4/h5-8,15H,1-4H3
InChIKeyZLAAAECZRNQDKD-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.18
Rot. Bonds4

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

2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 75422382) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole
PubChem CID75422382
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(NS(=O)(=O)N(C)C)cc2)oc1C
InChIInChI=1S/C13H17N3O3S/c1-9-10(2)19-13(14-9)11-5-7-12(8-6-11)15-20(17,18)16(3)4/h5-8,15H,1-4H3
InChIKeyZLAAAECZRNQDKD-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

4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 5022157
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51093188
2-[[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340926
3-amino-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136577955
4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 55864644
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55857285
5-(dimethylsulfamoylamino)-2-(4-methylanilino)pyridine
CID 113016392
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
CID 110777028
6-(dimethylsulfamoylamino)-2-methyl-4H-3,1-benzoxazine
CID 70936284
(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 51092375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole (CID 75422382) is 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(-c2ccc(NS(=O)(=O)N(C)C)cc2)oc1C.
What is the InChIKey of 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is ZLAAAECZRNQDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-10(2)19-13(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 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole?
2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-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 2-[4-(dimethylsulfamoylamino)phenyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 75422382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).