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

C16H12FN5O2 — CID 42630248

IUPAC3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2nncn2n1
InChIInChI=1S/C16H12FN5O2/c1-10-13(16(21-24-10)11-2-4-12(17)5-3-11)8-23-15-7-6-14-19-18-9-22(14)20-15/h2-7,9H,8H2,1H3
InChIKeyMCDGCISWTFEHRK-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.81
Rot. Bonds4

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

3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole (PubChem CID 42630248) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole
PubChem CID42630248
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2nncn2n1
InChIInChI=1S/C16H12FN5O2/c1-10-13(16(21-24-10)11-2-4-12(17)5-3-11)8-23-15-7-6-14-19-18-9-22(14)20-15/h2-7,9H,8H2,1H3
InChIKeyMCDGCISWTFEHRK-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole (CID 42630248) is 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1COc1ccc2nncn2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
The InChIKey is MCDGCISWTFEHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-10-13(16(21-24-10)11-2-4-12(17)5-3-11)8-23-15-7-6-14-19-18-9-22(14)20-15/h2-7,9H,8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole?
3-(4-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-(4-fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 42630248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).