5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole

C22H26N2O2 — CID 15954769

IUPAC5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(-c3ccccn3)cc2C)on1
InChIInChI=1S/C22H26N2O2/c1-16-13-19(21-10-6-7-11-23-21)14-17(2)22(16)25-12-8-4-5-9-20-15-18(3)24-26-20/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3
InChIKeyKFQVJTUXHZGTDQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.45
Rot. Bonds8

About 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole

5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole (PubChem CID 15954769) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
PubChem CID15954769
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(-c3ccccn3)cc2C)on1
InChIInChI=1S/C22H26N2O2/c1-16-13-19(21-10-6-7-11-23-21)14-17(2)22(16)25-12-8-4-5-9-20-15-18(3)24-26-20/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3
InChIKeyKFQVJTUXHZGTDQ-UHFFFAOYSA-N
XLogP5.45
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole (CID 15954769) is 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(C)cc(-c3ccccn3)cc2C)on1.
What is the InChIKey of 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
The InChIKey is KFQVJTUXHZGTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-13-19(21-10-6-7-11-23-21)14-17(2)22(16)25-12-8-4-5-9-20-15-18(3)24-26-20/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3.
What are the key properties of 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole has a molecular weight of 350.46 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,6-dimethyl-4-pyridin-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 15954769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).