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

C20H20Cl2N2O2 — CID 515433

IUPAC5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3cccnc3)cc2Cl)on1
InChIInChI=1S/C20H20Cl2N2O2/c1-14-10-17(26-24-14)7-3-2-4-9-25-20-18(21)11-16(12-19(20)22)15-6-5-8-23-13-15/h5-6,8,10-13H,2-4,7,9H2,1H3
InChIKeyKQIXITZSQIALGD-UHFFFAOYSA-N
MW391.30 g/mol
LogP6.14
Rot. Bonds8

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

5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole (PubChem CID 515433) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
PubChem CID515433
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3cccnc3)cc2Cl)on1
InChIInChI=1S/C20H20Cl2N2O2/c1-14-10-17(26-24-14)7-3-2-4-9-25-20-18(21)11-16(12-19(20)22)15-6-5-8-23-13-15/h5-6,8,10-13H,2-4,7,9H2,1H3
InChIKeyKQIXITZSQIALGD-UHFFFAOYSA-N
XLogP6.14
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 56.14
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-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole (CID 515433) is 5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(Cl)cc(-c3cccnc3)cc2Cl)on1.
What is the InChIKey of 5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
The InChIKey is KQIXITZSQIALGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-14-10-17(26-24-14)7-3-2-4-9-25-20-18(21)11-16(12-19(20)22)15-6-5-8-23-13-15/h5-6,8,10-13H,2-4,7,9H2,1H3.
What are the key properties of 5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole?
5-[5-(2,6-dichloro-4-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole has a molecular weight of 391.30 g/mol, XLogP of 6.14, 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-pyridin-3-ylphenoxy)pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 515433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).