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

C20H19FN4O3 — CID 58270829

IUPAC(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H19FN4O3/c1-13-17(3-2-10-22-13)27-20(26)25-11-8-14(9-12-25)18-23-19(28-24-18)15-4-6-16(21)7-5-15/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyIEJPZESJOKTLEK-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.96
Rot. Bonds3

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

(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 58270829) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID58270829
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H19FN4O3/c1-13-17(3-2-10-22-13)27-20(26)25-11-8-14(9-12-25)18-23-19(28-24-18)15-4-6-16(21)7-5-15/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyIEJPZESJOKTLEK-UHFFFAOYSA-N
XLogP3.96
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

(2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 58270754
(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate
CID 58270760
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
2-(4-fluorophenoxy)-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91905654
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 53130747
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372
(3-fluoro-2-pyridinyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477803
N-[1-(4-fluorophenyl)-3-oxo-3-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propyl]acetamide
CID 110233860
[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
(2,5-difluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121835
N-[(4-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905648
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 58270829) is (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is Cc1ncccc1OC(=O)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is IEJPZESJOKTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-13-17(3-2-10-22-13)27-20(26)25-11-8-14(9-12-25)18-23-19(28-24-18)15-4-6-16(21)7-5-15/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 382.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).