5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole

C21H22Cl2N2O2 — CID 515435

IUPAC5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3cccc(C)n3)cc2Cl)on1
InChIInChI=1S/C21H22Cl2N2O2/c1-14-7-6-9-20(24-14)16-12-18(22)21(19(23)13-16)26-10-5-3-4-8-17-11-15(2)25-27-17/h6-7,9,11-13H,3-5,8,10H2,1-2H3
InChIKeyWHXGVLAREOVVDI-UHFFFAOYSA-N
MW405.33 g/mol
LogP6.45
Rot. Bonds8

About 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole

5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 515435) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID515435
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3cccc(C)n3)cc2Cl)on1
InChIInChI=1S/C21H22Cl2N2O2/c1-14-7-6-9-20(24-14)16-12-18(22)21(19(23)13-16)26-10-5-3-4-8-17-11-15(2)25-27-17/h6-7,9,11-13H,3-5,8,10H2,1-2H3
InChIKeyWHXGVLAREOVVDI-UHFFFAOYSA-N
XLogP6.45
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 56.45
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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Related Compounds

5-[5-[2,6-Dichloro-4-(3-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515433
5-[5-[2,6-Dichloro-4-(4-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515434
3-(2,6-Dichlorophenyl)-5-isopropyl-4-((6-methyl-4-(trifluoromethyl)pyridin-2-yloxy)methyl)isoxazole
CID 49862166
5-[5-[2,6-Dichloro-4-(4,5-dimethylthiazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515421
5-[5-[2,6-Dichloro-4-(2-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515432
2-Methyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine
CID 57519831
5-[5-[2,6-Dichloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
CID 44361453
5-[5-[2,6-Dichloro-4-(1-methylpyrrol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515430
5-{5-[2,6-dichloro-4-(4,5-dihydro-3H-pyrrol-2-yl)phenoxy]pentyl}-3-methylisoxazole
CID 515436
5-[5-[2,6-Dichloro-4-(3-methyl-2-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 15954778
5-[2-(4-Chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
CID 10619957
5-Cyclopropyl-3-(2,6-dichlorophenyl)-4-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2-oxazole
CID 68204647

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 515435) is 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(Cl)cc(-c3cccc(C)n3)cc2Cl)on1.
What is the InChIKey of 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is WHXGVLAREOVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-14-7-6-9-20(24-14)16-12-18(22)21(19(23)13-16)26-10-5-3-4-8-17-11-15(2)25-27-17/h6-7,9,11-13H,3-5,8,10H2,1-2H3.
What are the key properties of 5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2,6-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 405.33 g/mol, XLogP of 6.45, 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-dichloro-4-(6-methyl-2-pyridinyl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 515435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).