2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide

C16H20N2O4S — CID 56808949

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide
SMILESCc1noc(C)c1CS(=O)(=O)C(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H20N2O4S/c1-11-15(12(2)22-17-11)10-23(20,21)13(3)16(19)18(4)14-8-6-5-7-9-14/h5-9,13H,10H2,1-4H3
InChIKeyWSQZLQBWOBAWEA-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.26
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide (PubChem CID 56808949) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide
PubChem CID56808949
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide
SMILESCc1noc(C)c1CS(=O)(=O)C(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C16H20N2O4S/c1-11-15(12(2)22-17-11)10-23(20,21)13(3)16(19)18(4)14-8-6-5-7-9-14/h5-9,13H,10H2,1-4H3
InChIKeyWSQZLQBWOBAWEA-UHFFFAOYSA-N
XLogP2.26
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2119845
N-[4-(difluoromethylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 8934103
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 25163211
N-(4-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}phenyl)acetamide
CID 1471877
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 4963639
N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6619309
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7740565
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2537506
1-[(2S,6R)-2,6-dimethyl-4-(2-methylphenyl)piperazin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone
CID 117976829
3,5-Dimethyl-4-(((((4-(o-tolyl)piperazin-1-yl)sulfonyl)methyl)thio)methyl)isoxazole
CID 122512166
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 4795218
N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
CID 24979760

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide (CID 56808949) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide is Cc1noc(C)c1CS(=O)(=O)C(C)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide?
The InChIKey is WSQZLQBWOBAWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-15(12(2)22-17-11)10-23(20,21)13(3)16(19)18(4)14-8-6-5-7-9-14/h5-9,13H,10H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide has a molecular weight of 336.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 56808949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).