ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate

C19H17FN4O3 — CID 108777468

IUPACethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCc3c(noc3-c3ccc(F)cc3)C2)nn1
InChIInChI=1S/C19H17FN4O3/c1-2-26-19(25)15-7-8-17(22-21-15)24-10-9-14-16(11-24)23-27-18(14)12-3-5-13(20)6-4-12/h3-8H,2,9-11H2,1H3
InChIKeyCCYNBROINFTKKK-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.01
Rot. Bonds4

About ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate

ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate (PubChem CID 108777468) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate
PubChem CID108777468
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Nameethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCc3c(noc3-c3ccc(F)cc3)C2)nn1
InChIInChI=1S/C19H17FN4O3/c1-2-26-19(25)15-7-8-17(22-21-15)24-10-9-14-16(11-24)23-27-18(14)12-3-5-13(20)6-4-12/h3-8H,2,9-11H2,1H3
InChIKeyCCYNBROINFTKKK-UHFFFAOYSA-N
XLogP3.01
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate with MolForge

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Related Compounds

ethyl [4-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]phenyl] carbonate
CID 108765581
2-chloro-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743296
2-(3,5-dimethylphenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743352
1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one
CID 108811599
[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-nitrophenyl)methanone
CID 108765596
ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129498668
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108743341
prop-2-enyl 3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 108727187
4-(2-bromo-4-ethylphenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 108765704
4-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 108810253
6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108783294
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate (CID 108777468) is ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate is CCOC(=O)c1ccc(N2CCc3c(noc3-c3ccc(F)cc3)C2)nn1.
What is the InChIKey of ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate?
The InChIKey is CCYNBROINFTKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-2-26-19(25)15-7-8-17(22-21-15)24-10-9-14-16(11-24)23-27-18(14)12-3-5-13(20)6-4-12/h3-8H,2,9-11H2,1H3.
What are the key properties of ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate?
ethyl 6-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate has a molecular weight of 368.37 g/mol, XLogP of 3.01, 4 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)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 108777468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).