5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole

C18H19N5O2 — CID 54752774

IUPAC5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1
InChIInChI=1S/C18H19N5O2/c1-12-3-8-17(21-20-12)23-9-14(10-23)11-24-16-6-4-15(5-7-16)18-19-13(2)25-22-18/h3-8,14H,9-11H2,1-2H3
InChIKeyHCOIQQJHIUTQMB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.66
Rot. Bonds5

About 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole

5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 54752774) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole
PubChem CID54752774
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1
InChIInChI=1S/C18H19N5O2/c1-12-3-8-17(21-20-12)23-9-14(10-23)11-24-16-6-4-15(5-7-16)18-19-13(2)25-22-18/h3-8,14H,9-11H2,1-2H3
InChIKeyHCOIQQJHIUTQMB-UHFFFAOYSA-N
XLogP2.66
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole 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 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole (CID 54752774) is 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole is Cc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1.
What is the InChIKey of 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is HCOIQQJHIUTQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-3-8-17(21-20-12)23-9-14(10-23)11-24-16-6-4-15(5-7-16)18-19-13(2)25-22-18/h3-8,14H,9-11H2,1-2H3.
What are the key properties of 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole?
5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54752774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).