1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol

C10H13F3N2O3 — CID 112737881

IUPAC1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESOCc1coc(N2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)9(17)1-3-15(4-2-9)8-14-7(5-16)6-18-8/h6,16-17H,1-5H2
InChIKeyVTIOIFOBUTVKCN-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.06
Rot. Bonds2

About 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol

1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 112737881) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID112737881
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol
SMILESOCc1coc(N2CCC(O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H13F3N2O3/c11-10(12,13)9(17)1-3-15(4-2-9)8-14-7(5-16)6-18-8/h6,16-17H,1-5H2
InChIKeyVTIOIFOBUTVKCN-UHFFFAOYSA-N
XLogP1.06
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol (CID 112737881) is 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol is OCc1coc(N2CCC(O)(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is VTIOIFOBUTVKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c11-10(12,13)9(17)1-3-15(4-2-9)8-14-7(5-16)6-18-8/h6,16-17H,1-5H2.
What are the key properties of 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol?
1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 266.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 112737881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).