1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid

C19H17FN4O3 — CID 56770067

IUPAC1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncccc2-c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C19H17FN4O3/c20-14-6-1-4-12(10-14)16-22-18(27-23-16)15-7-2-8-21-17(15)24-9-3-5-13(11-24)19(25)26/h1-2,4,6-8,10,13H,3,5,9,11H2,(H,25,26)
InChIKeyLRMIUQSBKPXFSQ-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid

1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 56770067) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID56770067
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncccc2-c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C19H17FN4O3/c20-14-6-1-4-12(10-14)16-22-18(27-23-16)15-7-2-8-21-17(15)24-9-3-5-13(11-24)19(25)26/h1-2,4,6-8,10,13H,3,5,9,11H2,(H,25,26)
InChIKeyLRMIUQSBKPXFSQ-UHFFFAOYSA-N
XLogP3.24
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid (CID 56770067) is 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncccc2-c2nc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is LRMIUQSBKPXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-14-6-1-4-12(10-14)16-22-18(27-23-16)15-7-2-8-21-17(15)24-9-3-5-13(11-24)19(25)26/h1-2,4,6-8,10,13H,3,5,9,11H2,(H,25,26).
What are the key properties of 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid?
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 368.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56770067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).