3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole

C15H18F3N5O — CID 36785886

IUPAC3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18F3N5O/c1-10-12(11(2)24-21-10)9-22-5-7-23(8-6-22)14-19-4-3-13(20-14)15(16,17)18/h3-4H,5-9H2,1-2H3
InChIKeyGUGMKDBVHMKJAJ-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.42
Rot. Bonds3

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

3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 36785886) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID36785886
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H18F3N5O/c1-10-12(11(2)24-21-10)9-22-5-7-23(8-6-22)14-19-4-3-13(20-14)15(16,17)18/h3-4H,5-9H2,1-2H3
InChIKeyGUGMKDBVHMKJAJ-UHFFFAOYSA-N
XLogP2.42
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole (CID 36785886) is 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is GUGMKDBVHMKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10-12(11(2)24-21-10)9-22-5-7-23(8-6-22)14-19-4-3-13(20-14)15(16,17)18/h3-4H,5-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 341.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 36785886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).