3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide

C11H17N3O5S — CID 110717014

IUPAC3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC1CN(C)C(=O)O1
InChIInChI=1S/C11H17N3O5S/c1-7-10(8(2)19-13-7)20(16,17)12-5-4-9-6-14(3)11(15)18-9/h9,12H,4-6H2,1-3H3
InChIKeyYFFAMPLCBKGFKC-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.41
Rot. Bonds5

About 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 110717014) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID110717014
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCC1CN(C)C(=O)O1
InChIInChI=1S/C11H17N3O5S/c1-7-10(8(2)19-13-7)20(16,17)12-5-4-9-6-14(3)11(15)18-9/h9,12H,4-6H2,1-3H3
InChIKeyYFFAMPLCBKGFKC-UHFFFAOYSA-N
XLogP0.41
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110710461
4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110716981
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
2-chloro-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110717021
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]-1,2-oxazole-4-sulfonamide
CID 55681869
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 39667460
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110327975
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122278208
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113065877
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 110717014) is 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCC1CN(C)C(=O)O1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YFFAMPLCBKGFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-7-10(8(2)19-13-7)20(16,17)12-5-4-9-6-14(3)11(15)18-9/h9,12H,4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110717014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).