4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole

C19H11Cl3N2OS — CID 2747347

IUPAC4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H11Cl3N2OS/c1-10-16(18(24-25-10)17-13(21)7-4-8-14(17)22)15-9-26-19(23-15)11-5-2-3-6-12(11)20/h2-9H,1H3
InChIKeyUPFVMSSJUAEJDB-UHFFFAOYSA-N
MW421.74 g/mol
LogP7.40
Rot. Bonds3

About 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole

4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole (PubChem CID 2747347) has the molecular formula C19H11Cl3N2OS and a molecular weight of 421.74 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
PubChem CID2747347
Molecular FormulaC19H11Cl3N2OS
Molecular Weight421.74 g/mol
Exact Mass419.97
IUPAC Name4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H11Cl3N2OS/c1-10-16(18(24-25-10)17-13(21)7-4-8-14(17)22)15-9-26-19(23-15)11-5-2-3-6-12(11)20/h2-9H,1H3
InChIKeyUPFVMSSJUAEJDB-UHFFFAOYSA-N
XLogP7.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.74
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
CID 1471881
4-[2-(2-Chlorophenyl)-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole
CID 1479633
3-(2,4-Dichlorophenyl)-5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 2745631
[(Z)-[amino-(2-methyl-1,3-thiazol-4-yl)methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 5914007
2-Chlorobenzaldehyde 1-[4-(5-methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]hydrazone
CID 9581000
Benzaldehyde 1-{4-[3-(2,4-dichlorophenyl)-5-methylisoxazol-4-yl]-1,3-thiazol-2-yl}hydrazone
CID 9581001
2-Chlorobenzaldehyde 1-{4-[3-(2,4-dichlorophenyl)-5-methylisoxazol-4-yl]-1,3-thiazol-2-yl}hydrazone
CID 9581002
O4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}-2-methyl-1,3-thiazole-4-carbohydroximamide
CID 9580888
3-(2,6-Dichlorophenyl)-5-methyl-4-[4-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,2-oxazole
CID 2740215
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
CID 2745643
N-(2,6-dichlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
CID 2746447
N-(4-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-amine
CID 3449148

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole (CID 2747347) is 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole is Cc1onc(-c2c(Cl)cccc2Cl)c1-c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
The InChIKey is UPFVMSSJUAEJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2OS/c1-10-16(18(24-25-10)17-13(21)7-4-8-14(17)22)15-9-26-19(23-15)11-5-2-3-6-12(11)20/h2-9H,1H3.
What are the key properties of 4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole?
4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole has a molecular weight of 421.74 g/mol, XLogP of 7.40, 3 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]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 2747347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).