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

C16H14F4N2O3 — CID 58428794

IUPAC2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCC(c3ccc(F)cc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C16H14F4N2O3/c17-11-3-1-9(2-4-11)10-5-7-22(8-6-10)15-21-13(16(18,19)20)12(25-15)14(23)24/h1-4,10H,5-8H2,(H,23,24)
InChIKeySCESQVKEVIYDQD-UHFFFAOYSA-N
MW358.29 g/mol
LogP3.91
Rot. Bonds3

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

2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 58428794) has the molecular formula C16H14F4N2O3 and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID58428794
Molecular FormulaC16H14F4N2O3
Molecular Weight358.29 g/mol
Exact Mass358.09
IUPAC Name2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(N2CCC(c3ccc(F)cc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C16H14F4N2O3/c17-11-3-1-9(2-4-11)10-5-7-22(8-6-10)15-21-13(16(18,19)20)12(25-15)14(23)24/h1-4,10H,5-8H2,(H,23,24)
InChIKeySCESQVKEVIYDQD-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-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 58428794) is 2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(N2CCC(c3ccc(F)cc3)CC2)nc1C(F)(F)F.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is SCESQVKEVIYDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3/c17-11-3-1-9(2-4-11)10-5-7-22(8-6-10)15-21-13(16(18,19)20)12(25-15)14(23)24/h1-4,10H,5-8H2,(H,23,24).
What are the key properties of 2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-[4-(4-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-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 58428794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).