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

C20H17ClN2OS — CID 23723062

IUPAC5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C20H17ClN2OS/c1-13-18(25-19(22-13)15-8-10-16(21)11-9-15)20(2)12-17(23-24-20)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyXTVWJDISFLFTHS-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.81
Rot. Bonds3

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

5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole (PubChem CID 23723062) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole
PubChem CID23723062
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C20H17ClN2OS/c1-13-18(25-19(22-13)15-8-10-16(21)11-9-15)20(2)12-17(23-24-20)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyXTVWJDISFLFTHS-UHFFFAOYSA-N
XLogP5.81
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole (CID 23723062) is 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole is Cc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole?
The InChIKey is XTVWJDISFLFTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c1-13-18(25-19(22-13)15-8-10-16(21)11-9-15)20(2)12-17(23-24-20)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole?
5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole has a molecular weight of 368.89 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-3-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 23723062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).