4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

C22H20N4O3 — CID 68690049

IUPAC4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C22H20N4O3/c23-14-16-9-11-17(12-10-16)22-24-21(25-29-22)19-8-4-5-13-26(19)20(27)15-28-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13,15H2/t19-/m1/s1
InChIKeyFSWNXSFRIJUIPH-LJQANCHMSA-N
MW388.43 g/mol
LogP3.74
Rot. Bonds5

About 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 68690049) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID68690049
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1
InChIInChI=1S/C22H20N4O3/c23-14-16-9-11-17(12-10-16)22-24-21(25-29-22)19-8-4-5-13-26(19)20(27)15-28-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13,15H2/t19-/m1/s1
InChIKeyFSWNXSFRIJUIPH-LJQANCHMSA-N
XLogP3.74
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile 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

N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2987737
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
(2S)-N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]oxolane-2-carboxamide
CID 44373877
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-methyl-3-(1,2,4-oxadiazol-5-yl)phenoxy]propan-1-one
CID 45485406
4-[4,4-Dimethyl-2-oxo-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 56666855
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
CID 71664038
N-isopropyl-3-methoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2226351
4-Cyano-N-[(R)-2-(4-{3-[3-fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-benzamide
CID 44373912
2-Butoxy-N-[(R)-2-(4-{3-[3-fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-acetamide
CID 44374070
(2R)-N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]oxolane-2-carboxamide
CID 44374083
2-(4-Cyano-phenyl)-N-[(R)-2-(4-{3-[4-(5-cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-acetamide
CID 44374379

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 68690049) is 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1.
What is the InChIKey of 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is FSWNXSFRIJUIPH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N4O3/c23-14-16-9-11-17(12-10-16)22-24-21(25-29-22)19-8-4-5-13-26(19)20(27)15-28-18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13,15H2/t19-/m1/s1.
What are the key properties of 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 388.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 68690049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).