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

C9H11F3N2O2 — CID 177304446

IUPAC1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(C(F)(F)F)co2)CC1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-5-16-8(13-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyGEPGIBWZMWQJQB-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.65
Rot. Bonds1

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

1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol (PubChem CID 177304446) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol
PubChem CID177304446
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nc(C(F)(F)F)co2)CC1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-5-16-8(13-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyGEPGIBWZMWQJQB-UHFFFAOYSA-N
XLogP1.65
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol (CID 177304446) is 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol is OC1CCN(c2nc(C(F)(F)F)co2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
The InChIKey is GEPGIBWZMWQJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)7-5-16-8(13-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol has a molecular weight of 236.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 177304446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).