5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole

C13H9F3N2O — CID 136967038

IUPAC5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1[nH]c2ccccc2c1-c1cc(C(F)(F)F)no1
InChIInChI=1S/C13H9F3N2O/c1-7-12(8-4-2-3-5-9(8)17-7)10-6-11(18-19-10)13(14,15)16/h2-6,17H,1H3
InChIKeyLJIRLUVLTASATG-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.15
Rot. Bonds1

About 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole

5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 136967038) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID136967038
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1[nH]c2ccccc2c1-c1cc(C(F)(F)F)no1
InChIInChI=1S/C13H9F3N2O/c1-7-12(8-4-2-3-5-9(8)17-7)10-6-11(18-19-10)13(14,15)16/h2-6,17H,1H3
InChIKeyLJIRLUVLTASATG-UHFFFAOYSA-N
XLogP4.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole (CID 136967038) is 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole is Cc1[nH]c2ccccc2c1-c1cc(C(F)(F)F)no1.
What is the InChIKey of 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is LJIRLUVLTASATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-7-12(8-4-2-3-5-9(8)17-7)10-6-11(18-19-10)13(14,15)16/h2-6,17H,1H3.
What are the key properties of 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole?
5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 266.22 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1H-indol-3-yl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 136967038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).