2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C16H14F4N2O3 — CID 58428591

IUPAC2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCCC(c3ccccc3F)C2)nc1C(F)(F)F
InChIInChI=1S/C16H14F4N2O3/c17-11-6-2-1-5-10(11)9-4-3-7-22(8-9)15-21-13(16(18,19)20)12(25-15)14(23)24/h1-2,5-6,9H,3-4,7-8H2,(H,23,24)
InChIKeyHVAZUWRXDNOQAL-UHFFFAOYSA-N
MW358.29 g/mol
LogP3.91
Rot. Bonds3

About 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428591) has the molecular formula C16H14F4N2O3 and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428591
Molecular FormulaC16H14F4N2O3
Molecular Weight358.29 g/mol
Exact Mass358.09
IUPAC Name2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCCC(c3ccccc3F)C2)nc1C(F)(F)F
InChIInChI=1S/C16H14F4N2O3/c17-11-6-2-1-5-10(11)9-4-3-7-22(8-9)15-21-13(16(18,19)20)12(25-15)14(23)24/h1-2,5-6,9H,3-4,7-8H2,(H,23,24)
InChIKeyHVAZUWRXDNOQAL-UHFFFAOYSA-N
XLogP3.91
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428591) is 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(N2CCCC(c3ccccc3F)C2)nc1C(F)(F)F.
What is the InChIKey of 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is HVAZUWRXDNOQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3/c17-11-6-2-1-5-10(11)9-4-3-7-22(8-9)15-21-13(16(18,19)20)12(25-15)14(23)24/h1-2,5-6,9H,3-4,7-8H2,(H,23,24).
What are the key properties of 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 358.29 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).