methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate

C18H16N4O5 — CID 42630377

IUPACmethyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc(OCc2c(-c3ccccc3)noc2C)nn1
InChIInChI=1S/C18H16N4O5/c1-11-13(16(22-27-11)12-6-4-3-5-7-12)10-26-15-9-8-14(20-21-15)19-17(23)18(24)25-2/h3-9H,10H2,1-2H3,(H,19,20,23)
InChIKeyBPKJOZJEQYDQSA-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate

methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate (PubChem CID 42630377) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
PubChem CID42630377
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Namemethyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccc(OCc2c(-c3ccccc3)noc2C)nn1
InChIInChI=1S/C18H16N4O5/c1-11-13(16(22-27-11)12-6-4-3-5-7-12)10-26-15-9-8-14(20-21-15)19-17(23)18(24)25-2/h3-9H,10H2,1-2H3,(H,19,20,23)
InChIKeyBPKJOZJEQYDQSA-UHFFFAOYSA-N
XLogP2.13
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 42629653
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
CID 158854945
propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
CID 154266442
N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide
CID 87459442
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxamide
CID 67158115
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide
CID 134590463
3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 46896985
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate (CID 42630377) is methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate is COC(=O)C(=O)Nc1ccc(OCc2c(-c3ccccc3)noc2C)nn1.
What is the InChIKey of methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate?
The InChIKey is BPKJOZJEQYDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11-13(16(22-27-11)12-6-4-3-5-7-12)10-26-15-9-8-14(20-21-15)19-17(23)18(24)25-2/h3-9H,10H2,1-2H3,(H,19,20,23).
What are the key properties of methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate?
methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate has a molecular weight of 368.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate is sourced from PubChem (CID 42630377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).