5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole

C24H26N2O2 — CID 71326032

IUPAC5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole
SMILESCC(C)=CCCC(C)=CCOc1ccc(-c2cnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)6-4-7-19(3)13-15-27-22-11-9-20(10-12-22)23-17-26-24(28-23)21-8-5-14-25-16-21/h5-6,8-14,16-17H,4,7,15H2,1-3H3
InChIKeySCOSSTFYVOJNFI-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.48
Rot. Bonds8

About 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole

5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole (PubChem CID 71326032) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole
PubChem CID71326032
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole
SMILESCC(C)=CCCC(C)=CCOc1ccc(-c2cnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)6-4-7-19(3)13-15-27-22-11-9-20(10-12-22)23-17-26-24(28-23)21-8-5-14-25-16-21/h5-6,8-14,16-17H,4,7,15H2,1-3H3
InChIKeySCOSSTFYVOJNFI-UHFFFAOYSA-N
XLogP6.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole 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-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole?
The IUPAC name of 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole (CID 71326032) is 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole is CC(C)=CCCC(C)=CCOc1ccc(-c2cnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole?
The InChIKey is SCOSSTFYVOJNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(2)6-4-7-19(3)13-15-27-22-11-9-20(10-12-22)23-17-26-24(28-23)21-8-5-14-25-16-21/h5-6,8-14,16-17H,4,7,15H2,1-3H3.
What are the key properties of 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole?
5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole has a molecular weight of 374.48 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,7-dimethylocta-2,6-dienoxy)phenyl]-2-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 71326032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).