N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide

C17H20N4O4S — CID 24608465

IUPACN,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H20N4O4S/c1-12-17(13(2)25-19-12)26(23,24)20(3)11-16(22)21-10-9-15(18-21)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3
InChIKeyKYDOKZHXLZGMHW-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.55
Rot. Bonds5

About N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide

N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 24608465) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID24608465
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H20N4O4S/c1-12-17(13(2)25-19-12)26(23,24)20(3)11-16(22)21-10-9-15(18-21)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3
InChIKeyKYDOKZHXLZGMHW-UHFFFAOYSA-N
XLogP1.55
TPSA96.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 17402913
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119967422
2-heptan-4-ylsulfonyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 86867742
2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26514033
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308132
2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134011024
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 8810512
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 110335555
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 24608465) is N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is KYDOKZHXLZGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-12-17(13(2)25-19-12)26(23,24)20(3)11-16(22)21-10-9-15(18-21)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3.
What are the key properties of N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 376.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 24608465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).