4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole

C15H11ClFN3O2 — CID 42629768

IUPAC4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H11ClFN3O2/c1-9-12(8-21-14-7-6-13(16)18-19-14)15(20-22-9)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyQEFNITQULAUGNL-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.81
Rot. Bonds4

About 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole

4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole (PubChem CID 42629768) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
PubChem CID42629768
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H11ClFN3O2/c1-9-12(8-21-14-7-6-13(16)18-19-14)15(20-22-9)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyQEFNITQULAUGNL-UHFFFAOYSA-N
XLogP3.81
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole (CID 42629768) is 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1COc1ccc(Cl)nn1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
The InChIKey is QEFNITQULAUGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c1-9-12(8-21-14-7-6-13(16)18-19-14)15(20-22-9)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole?
4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole has a molecular weight of 319.72 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 42629768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).