3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole

C13H10F3N3O2 — CID 171644717

IUPAC3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)Cc1cc2cn[nH]c2cc1OCc1ccon1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)5-8-3-9-6-17-18-11(9)4-12(8)20-7-10-1-2-21-19-10/h1-4,6H,5,7H2,(H,17,18)
InChIKeyJNGPSPLOTBGECZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.23
Rot. Bonds4

About 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole

3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (PubChem CID 171644717) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
PubChem CID171644717
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)Cc1cc2cn[nH]c2cc1OCc1ccon1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)5-8-3-9-6-17-18-11(9)4-12(8)20-7-10-1-2-21-19-10/h1-4,6H,5,7H2,(H,17,18)
InChIKeyJNGPSPLOTBGECZ-UHFFFAOYSA-N
XLogP3.23
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (CID 171644717) is 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is FC(F)(F)Cc1cc2cn[nH]c2cc1OCc1ccon1.
What is the InChIKey of 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The InChIKey is JNGPSPLOTBGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)5-8-3-9-6-17-18-11(9)4-12(8)20-7-10-1-2-21-19-10/h1-4,6H,5,7H2,(H,17,18).
What are the key properties of 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole has a molecular weight of 297.24 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,2,2-trifluoroethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).