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

C9H12F3N3O — CID 170071709

IUPAC4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ocnc1CN1CCNCC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-7(14-6-16-8)5-15-3-1-13-2-4-15/h6,13H,1-5H2
InChIKeyHXLMWKMCARRGEE-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.10
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole

4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 170071709) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
PubChem CID170071709
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ocnc1CN1CCNCC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-7(14-6-16-8)5-15-3-1-13-2-4-15/h6,13H,1-5H2
InChIKeyHXLMWKMCARRGEE-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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Related Compounds

(5-Methyl-1,3-oxazol-4-yl)methanamine
CID 57885769
[5-(Trifluoromethyl)-1,3-oxazol-4-yl]methanamine hydrochloride
CID 137919901
1-(5-Methyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 72212391
1-((5-Methyl-1,3-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 132372558
N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine dihydrochloride
CID 137951257
4-(Azidomethyl)-5-(difluoromethyl)-1,3-oxazole
CID 137943011
1-Ethyl-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 75397412
3-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboxamide
CID 127832462
N-propyl-N-[[4-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]propan-1-amine
CID 69837319
1-[1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]ethyl]piperidin-4-amine
CID 117721595
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 118297302
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 121293284

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole (CID 170071709) is 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1ocnc1CN1CCNCC1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is HXLMWKMCARRGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)8-7(14-6-16-8)5-15-3-1-13-2-4-15/h6,13H,1-5H2.
What are the key properties of 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
4-(piperazin-1-ylmethyl)-5-(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 4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 170071709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).