2-(2,3-dichlorophenyl)-1,3-oxazole

C9H5Cl2NO — CID 76539867

IUPAC2-(2,3-dichlorophenyl)-1,3-oxazole
SMILESClc1cccc(-c2ncco2)c1Cl
InChIInChI=1S/C9H5Cl2NO/c10-7-3-1-2-6(8(7)11)9-12-4-5-13-9/h1-5H
InChIKeyZFBRUWLNQDNOGQ-UHFFFAOYSA-N
MW214.05 g/mol
LogP3.65
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-1,3-oxazole

2-(2,3-dichlorophenyl)-1,3-oxazole (PubChem CID 76539867) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,3-oxazole
PubChem CID76539867
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name2-(2,3-dichlorophenyl)-1,3-oxazole
SMILESClc1cccc(-c2ncco2)c1Cl
InChIInChI=1S/C9H5Cl2NO/c10-7-3-1-2-6(8(7)11)9-12-4-5-13-9/h1-5H
InChIKeyZFBRUWLNQDNOGQ-UHFFFAOYSA-N
XLogP3.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,3-oxazole?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,3-oxazole (CID 76539867) is 2-(2,3-dichlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,3-oxazole is Clc1cccc(-c2ncco2)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,3-oxazole?
The InChIKey is ZFBRUWLNQDNOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-7-3-1-2-6(8(7)11)9-12-4-5-13-9/h1-5H.
What are the key properties of 2-(2,3-dichlorophenyl)-1,3-oxazole?
2-(2,3-dichlorophenyl)-1,3-oxazole has a molecular weight of 214.05 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1,3-oxazole is sourced from PubChem (CID 76539867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).