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

C18H19N5O3S — CID 113050740

IUPAC3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N2c3ccccc3CC2C)nn1
InChIInChI=1S/C18H19N5O3S/c1-11-10-14-6-4-5-7-15(14)23(11)17-9-8-16(19-20-17)22-27(24,25)18-12(2)21-26-13(18)3/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyKDZIAZZBOFNDAL-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.96
Rot. Bonds4

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

3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 113050740) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide
PubChem CID113050740
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(N2c3ccccc3CC2C)nn1
InChIInChI=1S/C18H19N5O3S/c1-11-10-14-6-4-5-7-15(14)23(11)17-9-8-16(19-20-17)22-27(24,25)18-12(2)21-26-13(18)3/h4-9,11H,10H2,1-3H3,(H,19,22)
InChIKeyKDZIAZZBOFNDAL-UHFFFAOYSA-N
XLogP2.96
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113038928
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]butanamide
CID 113050663
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]oxane-4-carboxamide
CID 113050717
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide
CID 113050666
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide
CID 113050693
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050688
N-[6-(N-ethylanilino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113046870
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126866
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113041737
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109124497
N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795
N-butan-2-yl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109111708

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide (CID 113050740) is 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2c3ccccc3CC2C)nn1.
What is the InChIKey of 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is KDZIAZZBOFNDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-11-10-14-6-4-5-7-15(14)23(11)17-9-8-16(19-20-17)22-27(24,25)18-12(2)21-26-13(18)3/h4-9,11H,10H2,1-3H3,(H,19,22).
What are the key properties of 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113050740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).