5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H13F3N2O4 — CID 107427296

IUPAC5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)6-1-3-16(4-2-6)9(17)8-5-7(10(18)19)15-20-8/h6,8H,1-5H2,(H,18,19)
InChIKeyWAACDLSWASDMBA-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.02
Rot. Bonds2

About 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427296) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427296
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)6-1-3-16(4-2-6)9(17)8-5-7(10(18)19)15-20-8/h6,8H,1-5H2,(H,18,19)
InChIKeyWAACDLSWASDMBA-UHFFFAOYSA-N
XLogP1.02
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427296) is 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is WAACDLSWASDMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)6-1-3-16(4-2-6)9(17)8-5-7(10(18)19)15-20-8/h6,8H,1-5H2,(H,18,19).
What are the key properties of 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 294.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).