3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide

C15H20N2O3S — CID 100766932

IUPAC3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1C
InChIInChI=1S/C15H20N2O3S/c1-5-14(13-9-7-6-8-10(13)2)17-21(18,19)15-11(3)16-20-12(15)4/h6-9,14,17H,5H2,1-4H3/t14-/m1/s1
InChIKeyLIBOHLKWPXTQOP-CQSZACIVSA-N
MW308.40 g/mol
LogP3.03
Rot. Bonds5

About 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide (PubChem CID 100766932) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide
PubChem CID100766932
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1C
InChIInChI=1S/C15H20N2O3S/c1-5-14(13-9-7-6-8-10(13)2)17-21(18,19)15-11(3)16-20-12(15)4/h6-9,14,17H,5H2,1-4H3/t14-/m1/s1
InChIKeyLIBOHLKWPXTQOP-CQSZACIVSA-N
XLogP3.03
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100730820
3,5-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]-1,2-oxazole-4-sulfonamide
CID 133231102
3,5-dimethyl-N-(2-methylsulfonyl-1-phenylethyl)-1,2-oxazole-4-sulfonamide
CID 71911988
3,5-dimethyl-N-(3-methyl-1-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 71902435
N-[1-[2-(dimethylamino)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 126827659
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-phenylacetamide
CID 75459963
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
N-(1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5005523
N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 62645833
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide (CID 100766932) is 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide is CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1C.
What is the InChIKey of 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is LIBOHLKWPXTQOP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-14(13-9-7-6-8-10(13)2)17-21(18,19)15-11(3)16-20-12(15)4/h6-9,14,17H,5H2,1-4H3/t14-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1R)-1-(2-methylphenyl)propyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 100766932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).