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

C19H22N4O2 — CID 15954666

IUPAC3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1cnnc(CCCOc2cc(C)c(-c3noc(C)n3)c(C)c2)c1
InChIInChI=1S/C19H22N4O2/c1-12-8-16(22-20-11-12)6-5-7-24-17-9-13(2)18(14(3)10-17)19-21-15(4)25-23-19/h8-11H,5-7H2,1-4H3
InChIKeyMBFIDUZBCYAMOM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.77
Rot. Bonds6

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

3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 15954666) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID15954666
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1cnnc(CCCOc2cc(C)c(-c3noc(C)n3)c(C)c2)c1
InChIInChI=1S/C19H22N4O2/c1-12-8-16(22-20-11-12)6-5-7-24-17-9-13(2)18(14(3)10-17)19-21-15(4)25-23-19/h8-11H,5-7H2,1-4H3
InChIKeyMBFIDUZBCYAMOM-UHFFFAOYSA-N
XLogP3.77
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (CID 15954666) is 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is Cc1cnnc(CCCOc2cc(C)c(-c3noc(C)n3)c(C)c2)c1.
What is the InChIKey of 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is MBFIDUZBCYAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-8-16(22-20-11-12)6-5-7-24-17-9-13(2)18(14(3)10-17)19-21-15(4)25-23-19/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 338.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dimethyl-4-[3-(5-methylpyridazin-3-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 15954666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).