5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole

C12H6Cl2N2OS — CID 2742510

IUPAC5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESClc1ccc(-c2csc(-c3ccno3)n2)cc1Cl
InChIInChI=1S/C12H6Cl2N2OS/c13-8-2-1-7(5-9(8)14)10-6-18-12(16-10)11-3-4-15-17-11/h1-6H
InChIKeyRUEIKHOXQVAFLJ-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.77
Rot. Bonds2

About 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole

5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2742510) has the molecular formula C12H6Cl2N2OS and a molecular weight of 297.17 g/mol. Its IUPAC name is 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2742510
Molecular FormulaC12H6Cl2N2OS
Molecular Weight297.17 g/mol
Exact Mass295.96
IUPAC Name5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESClc1ccc(-c2csc(-c3ccno3)n2)cc1Cl
InChIInChI=1S/C12H6Cl2N2OS/c13-8-2-1-7(5-9(8)14)10-6-18-12(16-10)11-3-4-15-17-11/h1-6H
InChIKeyRUEIKHOXQVAFLJ-UHFFFAOYSA-N
XLogP4.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2742510) is 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole is Clc1ccc(-c2csc(-c3ccno3)n2)cc1Cl.
What is the InChIKey of 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is RUEIKHOXQVAFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS/c13-8-2-1-7(5-9(8)14)10-6-18-12(16-10)11-3-4-15-17-11/h1-6H.
What are the key properties of 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 297.17 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2742510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).