(2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C21H20F2N4O3 — CID 58270815

IUPAC(2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(c3noc(-c4cc(F)ccc4F)n3)CC2)c(C)n1
InChIInChI=1S/C21H20F2N4O3/c1-12-3-6-18(13(2)24-12)29-21(28)27-9-7-14(8-10-27)19-25-20(30-26-19)16-11-15(22)4-5-17(16)23/h3-6,11,14H,7-10H2,1-2H3
InChIKeyYAMCZEPLZKFMIW-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.41
Rot. Bonds3

About (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

(2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 58270815) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID58270815
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name(2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(c3noc(-c4cc(F)ccc4F)n3)CC2)c(C)n1
InChIInChI=1S/C21H20F2N4O3/c1-12-3-6-18(13(2)24-12)29-21(28)27-9-7-14(8-10-27)19-25-20(30-26-19)16-11-15(22)4-5-17(16)23/h3-6,11,14H,7-10H2,1-2H3
InChIKeyYAMCZEPLZKFMIW-UHFFFAOYSA-N
XLogP4.41
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 58270815) is (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is Cc1ccc(OC(=O)N2CCC(c3noc(-c4cc(F)ccc4F)n3)CC2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is YAMCZEPLZKFMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-12-3-6-18(13(2)24-12)29-21(28)27-9-7-14(8-10-27)19-25-20(30-26-19)16-11-15(22)4-5-17(16)23/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
(2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 414.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).