piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

C9H10F3N3O2 — CID 110833087

IUPACpiperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1conc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)7-6(5-17-14-7)8(16)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyJDULSASLZZDLHA-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.74
Rot. Bonds1

About piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (PubChem CID 110833087) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
PubChem CID110833087
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Namepiperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1conc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)7-6(5-17-14-7)8(16)15-3-1-13-2-4-15/h5,13H,1-4H2
InChIKeyJDULSASLZZDLHA-UHFFFAOYSA-N
XLogP0.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (CID 110833087) is piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is O=C(c1conc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is JDULSASLZZDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)7-6(5-17-14-7)8(16)15-3-1-13-2-4-15/h5,13H,1-4H2.
What are the key properties of piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 249.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 110833087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).