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

C12H7ClN2OS — CID 2745315

IUPAC5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESClc1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C12H7ClN2OS/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)11-5-6-14-16-11/h1-7H
InChIKeyHZXHBEBDTCBADL-UHFFFAOYSA-N
MW262.72 g/mol
LogP4.12
Rot. Bonds2

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

5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2745315) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2745315
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESClc1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C12H7ClN2OS/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)11-5-6-14-16-11/h1-7H
InChIKeyHZXHBEBDTCBADL-UHFFFAOYSA-N
XLogP4.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2745315) is 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole is Clc1ccc(-c2csc(-c3ccno3)n2)cc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is HZXHBEBDTCBADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)11-5-6-14-16-11/h1-7H.
What are the key properties of 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 262.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2745315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).