3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide

C15H11Cl2N5O2 — CID 113051727

IUPAC3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nn2)no1
InChIInChI=1S/C15H11Cl2N5O2/c1-8-6-14(22-24-8)18-12-4-5-13(21-20-12)19-15(23)9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,18,20,22)(H,19,21,23)
InChIKeyDVFZAWNKNKPBHG-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.08
Rot. Bonds4

About 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide

3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide (PubChem CID 113051727) has the molecular formula C15H11Cl2N5O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
PubChem CID113051727
Molecular FormulaC15H11Cl2N5O2
Molecular Weight364.19 g/mol
Exact Mass363.03
IUPAC Name3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nn2)no1
InChIInChI=1S/C15H11Cl2N5O2/c1-8-6-14(22-24-8)18-12-4-5-13(21-20-12)19-15(23)9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,18,20,22)(H,19,21,23)
InChIKeyDVFZAWNKNKPBHG-UHFFFAOYSA-N
XLogP4.08
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051729
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
N-(3,4-dichlorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164919
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
(E)-3-[2-chloro-4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 81294234
2-chloro-5-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 106501199
2-ethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]butanamide
CID 113051710
N-(4-acetamidophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164581
N-(2,6-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178961
4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093352

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide (CID 113051727) is 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide is Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)nn2)no1.
What is the InChIKey of 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
The InChIKey is DVFZAWNKNKPBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O2/c1-8-6-14(22-24-8)18-12-4-5-13(21-20-12)19-15(23)9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,18,20,22)(H,19,21,23).
What are the key properties of 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?
3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide has a molecular weight of 364.19 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113051727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).