5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole

C9H12F3N3O — CID 82663544

IUPAC5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncc(CN2CCNCC2)o1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2
InChIKeyWQCOTBWZALRILQ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.10
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole

5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 82663544) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID82663544
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncc(CN2CCNCC2)o1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2
InChIKeyWQCOTBWZALRILQ-UHFFFAOYSA-N
XLogP1.10
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole (CID 82663544) is 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1ncc(CN2CCNCC2)o1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is WQCOTBWZALRILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)8-14-5-7(16-8)6-15-3-1-13-2-4-15/h5,13H,1-4,6H2.
What are the key properties of 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole?
5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 235.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 82663544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).