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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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428727
4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 87343436
2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428795
2-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428958
2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 58428794
3-[[4-[4-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]benzoyl]amino]propanoic acid
CID 58428485
1-[6-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 58428547
1-[6-[4-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 46212567
2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208787
4-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 58428988
5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 58429093
2-(4-phenylpiperidin-1-yl)-N-[6-(3-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391215

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).