[1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate

C11H13F3N2O3 — CID 66880530

IUPAC[1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
SMILESCc1cc(N2CCC(OC(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C11H13F3N2O3/c1-7-6-9(15-19-7)16-4-2-8(3-5-16)18-10(17)11(12,13)14/h6,8H,2-5H2,1H3
InChIKeyKBDOICDKBPBHAS-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.06
Rot. Bonds2

About [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate

[1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate (PubChem CID 66880530) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
PubChem CID66880530
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name[1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
SMILESCc1cc(N2CCC(OC(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C11H13F3N2O3/c1-7-6-9(15-19-7)16-4-2-8(3-5-16)18-10(17)11(12,13)14/h6,8H,2-5H2,1H3
InChIKeyKBDOICDKBPBHAS-UHFFFAOYSA-N
XLogP2.06
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate (CID 66880530) is [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate is Cc1cc(N2CCC(OC(=O)C(F)(F)F)CC2)no1.
What is the InChIKey of [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate?
The InChIKey is KBDOICDKBPBHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7-6-9(15-19-7)16-4-2-8(3-5-16)18-10(17)11(12,13)14/h6,8H,2-5H2,1H3.
What are the key properties of [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate?
[1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate has a molecular weight of 278.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 66880530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).