3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole

C20H14ClFN2OS — CID 2726221

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3c(-c4c(F)cccc4Cl)noc3C)n2)cc1
InChIInChI=1S/C20H14ClFN2OS/c1-11-6-8-13(9-7-11)16-10-26-20(23-16)17-12(2)25-24-19(17)18-14(21)4-3-5-15(18)22/h3-10H,1-2H3
InChIKeyIUGFZTLUNHSATF-UHFFFAOYSA-N
MW384.86 g/mol
LogP6.54
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2726221) has the molecular formula C20H14ClFN2OS and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2726221
Molecular FormulaC20H14ClFN2OS
Molecular Weight384.86 g/mol
Exact Mass384.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3c(-c4c(F)cccc4Cl)noc3C)n2)cc1
InChIInChI=1S/C20H14ClFN2OS/c1-11-6-8-13(9-7-11)16-10-26-20(23-16)17-12(2)25-24-19(17)18-14(21)4-3-5-15(18)22/h3-10H,1-2H3
InChIKeyIUGFZTLUNHSATF-UHFFFAOYSA-N
XLogP6.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.86
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2726221) is 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is Cc1ccc(-c2csc(-c3c(-c4c(F)cccc4Cl)noc3C)n2)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is IUGFZTLUNHSATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2OS/c1-11-6-8-13(9-7-11)16-10-26-20(23-16)17-12(2)25-24-19(17)18-14(21)4-3-5-15(18)22/h3-10H,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 384.86 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2726221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).