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

C21H13F2N3OS — CID 51036061

IUPAC2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1sc(-c2ncco2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C21H13F2N3OS/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
InChIKeyDSCSURFMRPZQLM-UHFFFAOYSA-N
MW393.42 g/mol
LogP6.20
Rot. Bonds3

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

2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 51036061) has the molecular formula C21H13F2N3OS and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID51036061
Molecular FormulaC21H13F2N3OS
Molecular Weight393.42 g/mol
Exact Mass393.07
IUPAC Name2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1sc(-c2ncco2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C21H13F2N3OS/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
InChIKeyDSCSURFMRPZQLM-UHFFFAOYSA-N
XLogP6.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.42
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole (CID 51036061) is 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole is Cc1sc(-c2ncco2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is DSCSURFMRPZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3OS/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-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole?
2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 393.42 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 51036061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).