ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole

C10H12F3N3O — CID 177229996

IUPACethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
SMILESCC.FC(F)(F)Cn1ccc(-c2ccno2)n1
InChIInChI=1S/C8H6F3N3O.C2H6/c9-8(10,11)5-14-4-2-6(13-14)7-1-3-12-15-7;1-2/h1-4H,5H2;1-2H3
InChIKeyBFXHBNCNUIFTBT-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.13
Rot. Bonds2

About ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole

ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole (PubChem CID 177229996) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
PubChem CID177229996
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Nameethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
SMILESCC.FC(F)(F)Cn1ccc(-c2ccno2)n1
InChIInChI=1S/C8H6F3N3O.C2H6/c9-8(10,11)5-14-4-2-6(13-14)7-1-3-12-15-7;1-2/h1-4H,5H2;1-2H3
InChIKeyBFXHBNCNUIFTBT-UHFFFAOYSA-N
XLogP3.13
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Isoxazol-5-yl-1-methyl-1H-pyrazole-3-carboxylic acid
CID 4912975
3-[2-(3,3,3-Trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
CID 141427955
3-[1-(3,3,3-Trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
CID 141427963
5-[1-(2,2-Difluoropropyl)-5-methylpyrazol-3-yl]-1,2-oxazole
CID 170408968
5-[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
CID 170409590
5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CID 7016452
5-(1,3-Dimethyl-1H-pyrazol-4-YL)isoxazole
CID 19583686
5-(1-methylpyrazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 138016935
N-cyclobutyl-5-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 154782137
5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2-oxazol-3-amine
CID 165633680
5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-1,2-oxazol-4-amine
CID 165711944
5-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-1,2-oxazol-3-amine
CID 165742939

Frequently Asked Questions

What is the IUPAC name of ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
The IUPAC name of ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole (CID 177229996) is ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole is CC.FC(F)(F)Cn1ccc(-c2ccno2)n1.
What is the InChIKey of ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
The InChIKey is BFXHBNCNUIFTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O.C2H6/c9-8(10,11)5-14-4-2-6(13-14)7-1-3-12-15-7;1-2/h1-4H,5H2;1-2H3.
What are the key properties of ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole has a molecular weight of 247.22 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 177229996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).