4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole

C18H12F2N4O2 — CID 46205833

IUPAC4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H12F2N4O2/c1-9-17(10(2)26-24-9)18-12-4-6-16(22-14(12)8-21-23-18)25-15-5-3-11(19)7-13(15)20/h3-8H,1-2H3
InChIKeyGEISKBROGLLIKZ-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.37
Rot. Bonds3

About 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 46205833) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID46205833
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Name4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H12F2N4O2/c1-9-17(10(2)26-24-9)18-12-4-6-16(22-14(12)8-21-23-18)25-15-5-3-11(19)7-13(15)20/h3-8H,1-2H3
InChIKeyGEISKBROGLLIKZ-UHFFFAOYSA-N
XLogP4.37
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole (CID 46205833) is 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12.
What is the InChIKey of 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is GEISKBROGLLIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c1-9-17(10(2)26-24-9)18-12-4-6-16(22-14(12)8-21-23-18)25-15-5-3-11(19)7-13(15)20/h3-8H,1-2H3.
What are the key properties of 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 354.32 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenoxy)pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 46205833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).