3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

C11H14N4O4S — CID 45496984

IUPAC3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1ncccc1=O
InChIInChI=1S/C11H14N4O4S/c1-8-11(9(2)19-14-8)20(17,18)13-6-7-15-10(16)4-3-5-12-15/h3-5,13H,6-7H2,1-2H3
InChIKeySZVCEORBUFMXKS-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.17
Rot. Bonds5

About 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 45496984) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID45496984
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1ncccc1=O
InChIInChI=1S/C11H14N4O4S/c1-8-11(9(2)19-14-8)20(17,18)13-6-7-15-10(16)4-3-5-12-15/h3-5,13H,6-7H2,1-2H3
InChIKeySZVCEORBUFMXKS-UHFFFAOYSA-N
XLogP-0.17
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122278208
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
3,5-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 122277623
3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
CID 110730460
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122244863
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 39667460
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 45496984) is 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCn1ncccc1=O.
What is the InChIKey of 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is SZVCEORBUFMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-8-11(9(2)19-14-8)20(17,18)13-6-7-15-10(16)4-3-5-12-15/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 298.32 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 45496984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).