5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole

C10H13F3N2O — CID 105493969

IUPAC5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C10H13F3N2O/c1-6-8(7-2-4-14-5-3-7)15-9(16-6)10(11,12)13/h7,14H,2-5H2,1H3
InChIKeyMYKOWAGFQGGJHN-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.47
Rot. Bonds1

About 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole

5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 105493969) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID105493969
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C10H13F3N2O/c1-6-8(7-2-4-14-5-3-7)15-9(16-6)10(11,12)13/h7,14H,2-5H2,1H3
InChIKeyMYKOWAGFQGGJHN-UHFFFAOYSA-N
XLogP2.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole (CID 105493969) is 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole is Cc1oc(C(F)(F)F)nc1C1CCNCC1.
What is the InChIKey of 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is MYKOWAGFQGGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6-8(7-2-4-14-5-3-7)15-9(16-6)10(11,12)13/h7,14H,2-5H2,1H3.
What are the key properties of 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105493969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).