4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole

C8H6F3N3O — CID 90976997

IUPAC4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole
SMILESCn1nc(C(F)(F)F)cc1-c1cnoc1
InChIInChI=1S/C8H6F3N3O/c1-14-6(5-3-12-15-4-5)2-7(13-14)8(9,10)11/h2-4H,1H3
InChIKeyZWVTWHUGELZAFM-UHFFFAOYSA-N
MW217.15 g/mol
LogP2.09
Rot. Bonds1

About 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole

4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole (PubChem CID 90976997) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole
PubChem CID90976997
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole
SMILESCn1nc(C(F)(F)F)cc1-c1cnoc1
InChIInChI=1S/C8H6F3N3O/c1-14-6(5-3-12-15-4-5)2-7(13-14)8(9,10)11/h2-4H,1H3
InChIKeyZWVTWHUGELZAFM-UHFFFAOYSA-N
XLogP2.09
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole (CID 90976997) is 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole is Cn1nc(C(F)(F)F)cc1-c1cnoc1.
What is the InChIKey of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole?
The InChIKey is ZWVTWHUGELZAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-14-6(5-3-12-15-4-5)2-7(13-14)8(9,10)11/h2-4H,1H3.
What are the key properties of 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole?
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole has a molecular weight of 217.15 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 90976997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).