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

C13H9ClN2OS — CID 1479633

IUPAC4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole
SMILESCc1oncc1-c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H9ClN2OS/c1-8-10(6-15-17-8)12-7-18-13(16-12)9-4-2-3-5-11(9)14/h2-7H,1H3
InChIKeyDQZLTVAQLQUNCD-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.43
Rot. Bonds2

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

4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole (PubChem CID 1479633) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole
PubChem CID1479633
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole
SMILESCc1oncc1-c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H9ClN2OS/c1-8-10(6-15-17-8)12-7-18-13(16-12)9-4-2-3-5-11(9)14/h2-7H,1H3
InChIKeyDQZLTVAQLQUNCD-UHFFFAOYSA-N
XLogP4.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole (CID 1479633) is 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole is Cc1oncc1-c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole?
The InChIKey is DQZLTVAQLQUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-10(6-15-17-8)12-7-18-13(16-12)9-4-2-3-5-11(9)14/h2-7H,1H3.
What are the key properties of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole?
4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole has a molecular weight of 276.75 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 1479633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).