2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C13H9F3N2O3 — CID 57461783

IUPAC2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCc3ccccc32)nc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)10-9(11(19)20)21-12(17-10)18-6-5-7-3-1-2-4-8(7)18/h1-4H,5-6H2,(H,19,20)
InChIKeyYCOXCXTZQHHGFU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.09
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 57461783) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID57461783
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCc3ccccc32)nc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)10-9(11(19)20)21-12(17-10)18-6-5-7-3-1-2-4-8(7)18/h1-4H,5-6H2,(H,19,20)
InChIKeyYCOXCXTZQHHGFU-UHFFFAOYSA-N
XLogP3.09
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 57461783) is 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(N2CCc3ccccc32)nc1C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is YCOXCXTZQHHGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)10-9(11(19)20)21-12(17-10)18-6-5-7-3-1-2-4-8(7)18/h1-4H,5-6H2,(H,19,20).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 298.22 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 57461783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).