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

C21H13ClFN3OS — CID 58200628

IUPAC2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1sc(-c2ncco2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C21H13ClFN3OS/c1-11-19(26-21(28-11)20-24-7-8-27-20)12-5-6-16-13(9-12)10-17(25-16)18-14(22)3-2-4-15(18)23/h2-10,25H,1H3
InChIKeyWYHFWXXHTUDFMR-UHFFFAOYSA-N
MW409.87 g/mol
LogP6.71
Rot. Bonds3

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

2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 58200628) has the molecular formula C21H13ClFN3OS and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID58200628
Molecular FormulaC21H13ClFN3OS
Molecular Weight409.87 g/mol
Exact Mass409.05
IUPAC Name2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1sc(-c2ncco2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1
InChIInChI=1S/C21H13ClFN3OS/c1-11-19(26-21(28-11)20-24-7-8-27-20)12-5-6-16-13(9-12)10-17(25-16)18-14(22)3-2-4-15(18)23/h2-10,25H,1H3
InChIKeyWYHFWXXHTUDFMR-UHFFFAOYSA-N
XLogP6.71
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.87
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole (CID 58200628) is 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole is Cc1sc(-c2ncco2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.
What is the InChIKey of 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is WYHFWXXHTUDFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3OS/c1-11-19(26-21(28-11)20-24-7-8-27-20)12-5-6-16-13(9-12)10-17(25-16)18-14(22)3-2-4-15(18)23/h2-10,25H,1H3.
What are the key properties of 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 409.87 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chloro-6-fluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 58200628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).