3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole

C21H13ClFN5O — CID 25204930

IUPAC3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
SMILESFc1ccccc1-c1nc2cnn(Cc3cc(-c4ccc(Cl)cc4)no3)cc-2n1
InChIInChI=1S/C21H13ClFN5O/c22-14-7-5-13(6-8-14)18-9-15(29-27-18)11-28-12-20-19(10-24-28)25-21(26-20)16-3-1-2-4-17(16)23/h1-10,12H,11H2
InChIKeyCDILOAOPRNUTPW-UHFFFAOYSA-N
MW405.82 g/mol
LogP4.94
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole

3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole (PubChem CID 25204930) has the molecular formula C21H13ClFN5O and a molecular weight of 405.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
PubChem CID25204930
Molecular FormulaC21H13ClFN5O
Molecular Weight405.82 g/mol
Exact Mass405.08
IUPAC Name3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
SMILESFc1ccccc1-c1nc2cnn(Cc3cc(-c4ccc(Cl)cc4)no3)cc-2n1
InChIInChI=1S/C21H13ClFN5O/c22-14-7-5-13(6-8-14)18-9-15(29-27-18)11-28-12-20-19(10-24-28)25-21(26-20)16-3-1-2-4-17(16)23/h1-10,12H,11H2
InChIKeyCDILOAOPRNUTPW-UHFFFAOYSA-N
XLogP4.94
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole (CID 25204930) is 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole is Fc1ccccc1-c1nc2cnn(Cc3cc(-c4ccc(Cl)cc4)no3)cc-2n1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole?
The InChIKey is CDILOAOPRNUTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O/c22-14-7-5-13(6-8-14)18-9-15(29-27-18)11-28-12-20-19(10-24-28)25-21(26-20)16-3-1-2-4-17(16)23/h1-10,12H,11H2.
What are the key properties of 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole has a molecular weight of 405.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 25204930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).