ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate

C18H16FN3O4 — CID 42630252

IUPACethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C)nn1
InChIInChI=1S/C18H16FN3O4/c1-3-24-18(23)15-8-9-16(21-20-15)25-10-14-11(2)26-22-17(14)12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3
InChIKeyMCHWEBLNBLAGSI-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.33
Rot. Bonds6

About ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate

ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate (PubChem CID 42630252) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
PubChem CID42630252
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Nameethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C)nn1
InChIInChI=1S/C18H16FN3O4/c1-3-24-18(23)15-8-9-16(21-20-15)25-10-14-11(2)26-22-17(14)12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3
InChIKeyMCHWEBLNBLAGSI-UHFFFAOYSA-N
XLogP3.33
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate with MolForge

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Related Compounds

trans-(1S,3S)-3-[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]pyridazin-3-yl]oxycyclohexane-1-carboxylic acid
CID 166625357
6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 42629534
6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridazine-3-carboxylic acid isopropylamide
CID 42629535
4-[(6-Chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
CID 42629768
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridazine-3-carboxylic acid (tetrahydro-pyran-4-yl)-amide
CID 42630019
6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridazine-3-carboxylic acid (2-hydroxy-ethyl)-amide
CID 42630132
6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridazine-3-carboxylic acid ethylamide
CID 42630250
6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridazine-3-carboxylic acid ethyl ester
CID 42630253
6-[3-(4-Fluoro-phenyl)-isoxazol-4-ylmethoxy]-pyridazine-3-carboxylic acid ethyl ester
CID 42630743
5-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester
CID 66643823
5-[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-2H-pyrazole-3-carboxylic acid methyl ester
CID 66643834
{6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-pyridazin-3-yl}-morpholin-4-yl-methanone
CID 67157674

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate (CID 42630252) is ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate is CCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C)nn1.
What is the InChIKey of ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The InChIKey is MCHWEBLNBLAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-3-24-18(23)15-8-9-16(21-20-15)25-10-14-11(2)26-22-17(14)12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate has a molecular weight of 357.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate is sourced from PubChem (CID 42630252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).