N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H19N5O4S — CID 113041737

IUPACN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)noc2C)nn1
InChIInChI=1S/C17H19N5O4S/c1-11-17(12(2)26-21-11)27(23,24)22-16-9-8-15(19-20-16)18-10-13-6-4-5-7-14(13)25-3/h4-9H,10H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyJJYOQWPAZKNGRI-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.50
Rot. Bonds7

About N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113041737) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113041737
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)noc2C)nn1
InChIInChI=1S/C17H19N5O4S/c1-11-17(12(2)26-21-11)27(23,24)22-16-9-8-15(19-20-16)18-10-13-6-4-5-7-14(13)25-3/h4-9H,10H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyJJYOQWPAZKNGRI-UHFFFAOYSA-N
XLogP2.50
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041736
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
N-(3-benzyl-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 27301181
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
N-[[4-(2-methoxyphenyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53322135
N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113046870
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113040954

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113041737) is N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)noc2C)nn1.
What is the InChIKey of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is JJYOQWPAZKNGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-11-17(12(2)26-21-11)27(23,24)22-16-9-8-15(19-20-16)18-10-13-6-4-5-7-14(13)25-3/h4-9H,10H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113041737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).