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

C20H23N3O2 — CID 10088451

IUPAC3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)cn1
InChIInChI=1S/C20H23N3O2/c1-13-10-18(20-22-16(4)25-23-20)11-14(2)19(13)24-9-5-6-17-8-7-15(3)21-12-17/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyGGTJBNJHUYSQLQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.38
Rot. Bonds6

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

3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 10088451) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID10088451
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)cn1
InChIInChI=1S/C20H23N3O2/c1-13-10-18(20-22-16(4)25-23-20)11-14(2)19(13)24-9-5-6-17-8-7-15(3)21-12-17/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyGGTJBNJHUYSQLQ-UHFFFAOYSA-N
XLogP4.38
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (CID 10088451) is 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is Cc1ccc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)cn1.
What is the InChIKey of 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is GGTJBNJHUYSQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-10-18(20-22-16(4)25-23-20)11-14(2)19(13)24-9-5-6-17-8-7-15(3)21-12-17/h7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 337.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 10088451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).