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

C12H8F3N3O2 — CID 171644760

IUPAC3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1cc2cn[nH]c2cc1OCc1ccon1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)9-3-7-5-16-17-10(7)4-11(9)19-6-8-1-2-20-18-8/h1-5H,6H2,(H,16,17)
InChIKeyNDRWRHSITDZRCP-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.15
Rot. Bonds3

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

3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (PubChem CID 171644760) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
PubChem CID171644760
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1cc2cn[nH]c2cc1OCc1ccon1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)9-3-7-5-16-17-10(7)4-11(9)19-6-8-1-2-20-18-8/h1-5H,6H2,(H,16,17)
InChIKeyNDRWRHSITDZRCP-UHFFFAOYSA-N
XLogP3.15
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (CID 171644760) is 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is FC(F)(F)c1cc2cn[nH]c2cc1OCc1ccon1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The InChIKey is NDRWRHSITDZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)9-3-7-5-16-17-10(7)4-11(9)19-6-8-1-2-20-18-8/h1-5H,6H2,(H,16,17).
What are the key properties of 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole has a molecular weight of 283.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).