methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate

C17H15N5O4 — CID 109129945

IUPACmethyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2cc(C)on2)nn1
InChIInChI=1S/C17H15N5O4/c1-10-9-15(22-26-10)19-14-8-7-13(20-21-14)16(23)18-12-6-4-3-5-11(12)17(24)25-2/h3-9H,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyMEQYANLYKSNYBS-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.56
Rot. Bonds5

About methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate

methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate (PubChem CID 109129945) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
PubChem CID109129945
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Namemethyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2cc(C)on2)nn1
InChIInChI=1S/C17H15N5O4/c1-10-9-15(22-26-10)19-14-8-7-13(20-21-14)16(23)18-12-6-4-3-5-11(12)17(24)25-2/h3-9H,1-2H3,(H,18,23)(H,19,21,22)
InChIKeyMEQYANLYKSNYBS-UHFFFAOYSA-N
XLogP2.56
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129623
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109318322
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608
methyl 2-[[6-(3-chloro-4-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128960
methyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112878838
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128180
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109130085
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate (CID 109129945) is methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Nc2cc(C)on2)nn1.
What is the InChIKey of methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is MEQYANLYKSNYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-10-9-15(22-26-10)19-14-8-7-13(20-21-14)16(23)18-12-6-4-3-5-11(12)17(24)25-2/h3-9H,1-2H3,(H,18,23)(H,19,21,22).
What are the key properties of methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate?
methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 353.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109129945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).