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

C17H14FN3O4 — CID 42630743

IUPACethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nn1
InChIInChI=1S/C17H14FN3O4/c1-2-23-17(22)14-7-8-15(20-19-14)24-9-12-10-25-21-16(12)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyBRSCUQBCDAENDW-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.03
Rot. Bonds6

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

ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate (PubChem CID 42630743) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
PubChem CID42630743
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Nameethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nn1
InChIInChI=1S/C17H14FN3O4/c1-2-23-17(22)14-7-8-15(20-19-14)24-9-12-10-25-21-16(12)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyBRSCUQBCDAENDW-UHFFFAOYSA-N
XLogP3.03
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate (CID 42630743) is ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate is CCOC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nn1.
What is the InChIKey of ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
The InChIKey is BRSCUQBCDAENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-2-23-17(22)14-7-8-15(20-19-14)24-9-12-10-25-21-16(12)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate?
ethyl 6-[[3-(4-fluorophenyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 3.03, 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)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate is sourced from PubChem (CID 42630743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).