3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole

C16H12FN5O2 — CID 67158042

IUPAC3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc2nncn2n1
InChIInChI=1S/C16H12FN5O2/c1-10-13(16(21-24-10)11-3-2-4-12(17)7-11)8-23-15-6-5-14-19-18-9-22(14)20-15/h2-7,9H,8H2,1H3
InChIKeyHDKMOROVASWBHA-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.81
Rot. Bonds4

About 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole

3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole (PubChem CID 67158042) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole
PubChem CID67158042
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole
SMILESCc1onc(-c2cccc(F)c2)c1COc1ccc2nncn2n1
InChIInChI=1S/C16H12FN5O2/c1-10-13(16(21-24-10)11-3-2-4-12(17)7-11)8-23-15-6-5-14-19-18-9-22(14)20-15/h2-7,9H,8H2,1H3
InChIKeyHDKMOROVASWBHA-UHFFFAOYSA-N
XLogP2.81
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole (CID 67158042) is 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole is Cc1onc(-c2cccc(F)c2)c1COc1ccc2nncn2n1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
The InChIKey is HDKMOROVASWBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-10-13(16(21-24-10)11-3-2-4-12(17)7-11)8-23-15-6-5-14-19-18-9-22(14)20-15/h2-7,9H,8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole has a molecular weight of 325.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 67158042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).