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

C14H18N2O3S — CID 110669884

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C14H18N2O3S/c1-4-9-20(17,18)16-13-7-5-12(6-8-13)14-10(2)15-19-11(14)3/h5-8,16H,4,9H2,1-3H3
InChIKeyXVEQDBYJBJXIIO-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.11
Rot. Bonds5

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

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide (PubChem CID 110669884) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide
PubChem CID110669884
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C14H18N2O3S/c1-4-9-20(17,18)16-13-7-5-12(6-8-13)14-10(2)15-19-11(14)3/h5-8,16H,4,9H2,1-3H3
InChIKeyXVEQDBYJBJXIIO-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.11
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]-1-phenylmethanesulfonamide
CID 110669901
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
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
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
N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
CID 66714284
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]propane-1-sulfonamide
CID 110735547
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide (CID 110669884) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(C)noc2C)cc1.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide?
The InChIKey is XVEQDBYJBJXIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-9-20(17,18)16-13-7-5-12(6-8-13)14-10(2)15-19-11(14)3/h5-8,16H,4,9H2,1-3H3.
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 3.11, 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]propane-1-sulfonamide is sourced from PubChem (CID 110669884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).