N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide

C18H18N2O3S — CID 110669901

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCc1noc(C)c1-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-18(14(2)23-19-13)16-8-10-17(11-9-16)20-24(21,22)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKeyKALBOVFIEFFHMM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.90
Rot. Bonds5

About N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 110669901) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID110669901
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide
SMILESCc1noc(C)c1-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-18(14(2)23-19-13)16-8-10-17(11-9-16)20-24(21,22)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
InChIKeyKALBOVFIEFFHMM-UHFFFAOYSA-N
XLogP3.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.90
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]propane-1-sulfonamide
CID 110669884
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53054383
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
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
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597416

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide (CID 110669901) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide is Cc1noc(C)c1-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is KALBOVFIEFFHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-19-13)16-8-10-17(11-9-16)20-24(21,22)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3.
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110669901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).