2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C10H11F3N2O4 — CID 58428628

IUPAC2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCCC(O)C2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)7-6(8(17)18)19-9(14-7)15-3-1-2-5(16)4-15/h5,16H,1-4H2,(H,17,18)
InChIKeyHQZGCXAKDOFZAY-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.35
Rot. Bonds2

About 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428628) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428628
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCCC(O)C2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)7-6(8(17)18)19-9(14-7)15-3-1-2-5(16)4-15/h5,16H,1-4H2,(H,17,18)
InChIKeyHQZGCXAKDOFZAY-UHFFFAOYSA-N
XLogP1.35
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428628) is 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(N2CCCC(O)C2)nc1C(F)(F)F.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is HQZGCXAKDOFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c11-10(12,13)7-6(8(17)18)19-9(14-7)15-3-1-2-5(16)4-15/h5,16H,1-4H2,(H,17,18).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 280.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).