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

C22H22FN3O3 — CID 91918540

IUPAC[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-6-4-7-16(12-15)22(27)26-11-5-8-17(13-26)21-24-20(29-25-21)14-28-19-10-3-2-9-18(19)23/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3
InChIKeyRZEYSQWBUYTLCC-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.12
Rot. Bonds5

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

[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 91918540) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID91918540
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-6-4-7-16(12-15)22(27)26-11-5-8-17(13-26)21-24-20(29-25-21)14-28-19-10-3-2-9-18(19)23/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3
InChIKeyRZEYSQWBUYTLCC-UHFFFAOYSA-N
XLogP4.12
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 91918537
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91907932
3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 91918572
(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68526656
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110224452
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
3H-benzimidazol-5-yl-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95290365
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluoro-2-methylphenyl)piperidine-1-carboxamide
CID 91907884

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone (CID 91918540) is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c1.
What is the InChIKey of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is RZEYSQWBUYTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-6-4-7-16(12-15)22(27)26-11-5-8-17(13-26)21-24-20(29-25-21)14-28-19-10-3-2-9-18(19)23/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3.
What are the key properties of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone?
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 395.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 91918540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).