4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole

C12H11Cl2NO2 — CID 141135139

IUPAC4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole
SMILESClc1cccc(Cl)c1OCCCc1cocn1
InChIInChI=1S/C12H11Cl2NO2/c13-10-4-1-5-11(14)12(10)17-6-2-3-9-7-16-8-15-9/h1,4-5,7-8H,2-3,6H2
InChIKeyIHRYVKQWWORMMX-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.99
Rot. Bonds5

About 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole

4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole (PubChem CID 141135139) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole
PubChem CID141135139
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole
SMILESClc1cccc(Cl)c1OCCCc1cocn1
InChIInChI=1S/C12H11Cl2NO2/c13-10-4-1-5-11(14)12(10)17-6-2-3-9-7-16-8-15-9/h1,4-5,7-8H,2-3,6H2
InChIKeyIHRYVKQWWORMMX-UHFFFAOYSA-N
XLogP3.99
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole?
The IUPAC name of 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole (CID 141135139) is 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole.
What is the SMILES notation for 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole?
The canonical SMILES for 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole is Clc1cccc(Cl)c1OCCCc1cocn1.
What is the InChIKey of 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole?
The InChIKey is IHRYVKQWWORMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-10-4-1-5-11(14)12(10)17-6-2-3-9-7-16-8-15-9/h1,4-5,7-8H,2-3,6H2.
What are the key properties of 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole?
4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole has a molecular weight of 272.13 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorophenoxy)propyl]-1,3-oxazole is sourced from PubChem (CID 141135139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).