4-(3,4-dichlorophenoxy)-1,3-oxazole

C9H5Cl2NO2 — CID 91280618

IUPAC4-(3,4-dichlorophenoxy)-1,3-oxazole
SMILESClc1ccc(Oc2cocn2)cc1Cl
InChIInChI=1S/C9H5Cl2NO2/c10-7-2-1-6(3-8(7)11)14-9-4-13-5-12-9/h1-5H
InChIKeySNEKDSQKKJMIEW-UHFFFAOYSA-N
MW230.05 g/mol
LogP3.77
Rot. Bonds2

About 4-(3,4-dichlorophenoxy)-1,3-oxazole

4-(3,4-dichlorophenoxy)-1,3-oxazole (PubChem CID 91280618) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)-1,3-oxazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)-1,3-oxazole
PubChem CID91280618
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name4-(3,4-dichlorophenoxy)-1,3-oxazole
SMILESClc1ccc(Oc2cocn2)cc1Cl
InChIInChI=1S/C9H5Cl2NO2/c10-7-2-1-6(3-8(7)11)14-9-4-13-5-12-9/h1-5H
InChIKeySNEKDSQKKJMIEW-UHFFFAOYSA-N
XLogP3.77
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenoxy)-1,3-oxazole?
The IUPAC name of 4-(3,4-dichlorophenoxy)-1,3-oxazole (CID 91280618) is 4-(3,4-dichlorophenoxy)-1,3-oxazole.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)-1,3-oxazole?
The canonical SMILES for 4-(3,4-dichlorophenoxy)-1,3-oxazole is Clc1ccc(Oc2cocn2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenoxy)-1,3-oxazole?
The InChIKey is SNEKDSQKKJMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-7-2-1-6(3-8(7)11)14-9-4-13-5-12-9/h1-5H.
What are the key properties of 4-(3,4-dichlorophenoxy)-1,3-oxazole?
4-(3,4-dichlorophenoxy)-1,3-oxazole has a molecular weight of 230.05 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)-1,3-oxazole is sourced from PubChem (CID 91280618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).