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

C20H16Cl2N2OS — CID 24747869

IUPAC3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C20H16Cl2N2OS/c1-12-18(26-19(23-12)14-5-9-16(22)10-6-14)20(2)11-17(24-25-20)13-3-7-15(21)8-4-13/h3-10H,11H2,1-2H3
InChIKeyKEZXEAQIIQWZEC-UHFFFAOYSA-N
MW403.33 g/mol
LogP6.47
Rot. Bonds3

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

3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole (PubChem CID 24747869) has the molecular formula C20H16Cl2N2OS and a molecular weight of 403.33 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole
PubChem CID24747869
Molecular FormulaC20H16Cl2N2OS
Molecular Weight403.33 g/mol
Exact Mass402.04
IUPAC Name3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C20H16Cl2N2OS/c1-12-18(26-19(23-12)14-5-9-16(22)10-6-14)20(2)11-17(24-25-20)13-3-7-15(21)8-4-13/h3-10H,11H2,1-2H3
InChIKeyKEZXEAQIIQWZEC-UHFFFAOYSA-N
XLogP6.47
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.33
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole (CID 24747869) is 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole is Cc1nc(-c2ccc(Cl)cc2)sc1C1(C)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole?
The InChIKey is KEZXEAQIIQWZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2OS/c1-12-18(26-19(23-12)14-5-9-16(22)10-6-14)20(2)11-17(24-25-20)13-3-7-15(21)8-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole?
3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole has a molecular weight of 403.33 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 24747869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).