(1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C20H22FN5O3 — CID 91907952

IUPAC(1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)n1
InChIInChI=1S/C20H22FN5O3/c1-2-26-11-9-16(23-26)20(27)25-10-5-6-14(12-25)19-22-18(29-24-19)13-28-17-8-4-3-7-15(17)21/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3
InChIKeyPPHMEZFINRPWBL-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.02
Rot. Bonds6

About (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 91907952) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID91907952
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name(1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)n1
InChIInChI=1S/C20H22FN5O3/c1-2-26-11-9-16(23-26)20(27)25-10-5-6-14(12-25)19-22-18(29-24-19)13-28-17-8-4-3-7-15(17)21/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3
InChIKeyPPHMEZFINRPWBL-UHFFFAOYSA-N
XLogP3.02
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone 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 (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 91907952) is (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is PPHMEZFINRPWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-2-26-11-9-16(23-26)20(27)25-10-5-6-14(12-25)19-22-18(29-24-19)13-28-17-8-4-3-7-15(17)21/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 399.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91907952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).