[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

C15H13FN4O4 — CID 39866866

IUPAC[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCN1N=C(C(=O)OCc2nc(-c3ccc(F)cc3)no2)CCC1=O
InChIInChI=1S/C15H13FN4O4/c1-20-13(21)7-6-11(18-20)15(22)23-8-12-17-14(19-24-12)9-2-4-10(16)5-3-9/h2-5H,6-8H2,1H3
InChIKeyLWNJINQAQXINFE-UHFFFAOYSA-N
MW332.29 g/mol
LogP1.53
Rot. Bonds4

About [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate

[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (PubChem CID 39866866) has the molecular formula C15H13FN4O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
PubChem CID39866866
Molecular FormulaC15H13FN4O4
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
SMILESCN1N=C(C(=O)OCc2nc(-c3ccc(F)cc3)no2)CCC1=O
InChIInChI=1S/C15H13FN4O4/c1-20-13(21)7-6-11(18-20)15(22)23-8-12-17-14(19-24-12)9-2-4-10(16)5-3-9/h2-5H,6-8H2,1H3
InChIKeyLWNJINQAQXINFE-UHFFFAOYSA-N
XLogP1.53
TPSA97.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate
CID 18171214
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678876
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757641
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-5-chlorobenzoate
CID 16600204
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylpyrazole-4-carboxylate
CID 40767451
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromo-4-fluorobenzoate
CID 8837591
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenoxy)acetate
CID 8601377
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647155
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-4-fluorobenzoate
CID 8520210
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 42915833
propyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 112724973
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34775688

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate (CID 39866866) is [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is CN1N=C(C(=O)OCc2nc(-c3ccc(F)cc3)no2)CCC1=O.
What is the InChIKey of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is LWNJINQAQXINFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4/c1-20-13(21)7-6-11(18-20)15(22)23-8-12-17-14(19-24-12)9-2-4-10(16)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate?
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 332.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 39866866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).