3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole

C14H10F3N3O2 — CID 167969681

IUPAC3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-n2cc(OCc3ccon3)cn2)c1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)10-2-1-3-12(6-10)20-8-13(7-18-20)21-9-11-4-5-22-19-11/h1-8H,9H2
InChIKeyAVFDWTXLQDGYDU-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.46
Rot. Bonds4

About 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole

3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole (PubChem CID 167969681) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole
PubChem CID167969681
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-n2cc(OCc3ccon3)cn2)c1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)10-2-1-3-12(6-10)20-8-13(7-18-20)21-9-11-4-5-22-19-11/h1-8H,9H2
InChIKeyAVFDWTXLQDGYDU-UHFFFAOYSA-N
XLogP3.46
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole (CID 167969681) is 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole is FC(F)(F)c1cccc(-n2cc(OCc3ccon3)cn2)c1.
What is the InChIKey of 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole?
The InChIKey is AVFDWTXLQDGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-14(16,17)10-2-1-3-12(6-10)20-8-13(7-18-20)21-9-11-4-5-22-19-11/h1-8H,9H2.
What are the key properties of 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole?
3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole has a molecular weight of 309.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 167969681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).