3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride

C12H18ClF3N2O — CID 121020642

IUPAC3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1CN1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C12H17F3N2O.ClH/c1-8-11(9(2)18-16-8)7-17-5-3-10(4-6-17)12(13,14)15;/h10H,3-7H2,1-2H3;1H
InChIKeySNPRDHTUYMBRMW-UHFFFAOYSA-N
MW298.74 g/mol
LogP3.49
Rot. Bonds2

About 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride

3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride (PubChem CID 121020642) has the molecular formula C12H18ClF3N2O and a molecular weight of 298.74 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride
PubChem CID121020642
Molecular FormulaC12H18ClF3N2O
Molecular Weight298.74 g/mol
Exact Mass298.11
IUPAC Name3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1CN1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C12H17F3N2O.ClH/c1-8-11(9(2)18-16-8)7-17-5-3-10(4-6-17)12(13,14)15;/h10H,3-7H2,1-2H3;1H
InChIKeySNPRDHTUYMBRMW-UHFFFAOYSA-N
XLogP3.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride?
The IUPAC name of 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride (CID 121020642) is 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride is Cc1noc(C)c1CN1CCC(C(F)(F)F)CC1.Cl.
What is the InChIKey of 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride?
The InChIKey is SNPRDHTUYMBRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O.ClH/c1-8-11(9(2)18-16-8)7-17-5-3-10(4-6-17)12(13,14)15;/h10H,3-7H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride?
3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride has a molecular weight of 298.74 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 121020642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).