N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide

C16H21FN2O3S — CID 124625111

IUPACN-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)Cc1ccc(C)cc1F)c1c(C)noc1C
InChIInChI=1S/C16H21FN2O3S/c1-5-15(16-11(3)18-22-12(16)4)19-23(20,21)9-13-7-6-10(2)8-14(13)17/h6-8,15,19H,5,9H2,1-4H3/t15-/m1/s1
InChIKeyULYDIHUTGZGKIT-OAHLLOKOSA-N
MW340.42 g/mol
LogP3.31
Rot. Bonds6

About N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide

N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide (PubChem CID 124625111) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide
PubChem CID124625111
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide
SMILESCC[C@@H](NS(=O)(=O)Cc1ccc(C)cc1F)c1c(C)noc1C
InChIInChI=1S/C16H21FN2O3S/c1-5-15(16-11(3)18-22-12(16)4)19-23(20,21)9-13-7-6-10(2)8-14(13)17/h6-8,15,19H,5,9H2,1-4H3/t15-/m1/s1
InChIKeyULYDIHUTGZGKIT-OAHLLOKOSA-N
XLogP3.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide with MolForge

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Related Compounds

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,3,5-trimethylisoxazole-4-sulfonamide
CID 51346970
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethyl-3,5-dimethylisoxazole-4-sulfonamide
CID 53321486
3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 53323476
2,4-difluoro-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738172
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 16317139
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3666206
N-Benzhydryl-3,5-dimethylisoxazole-4-sulfonamide
CID 7436912
3,5-dimethyl-N-(2-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 45843573
4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 71885857
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997620

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide (CID 124625111) is N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide is CC[C@@H](NS(=O)(=O)Cc1ccc(C)cc1F)c1c(C)noc1C.
What is the InChIKey of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide?
The InChIKey is ULYDIHUTGZGKIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-5-15(16-11(3)18-22-12(16)4)19-23(20,21)9-13-7-6-10(2)8-14(13)17/h6-8,15,19H,5,9H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide?
N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide has a molecular weight of 340.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2-fluoro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 124625111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).