1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone

C23H25N3O3 — CID 42760371

IUPAC1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
SMILESCc1ccc(-c2noc(C3CCCCN3C(=O)COCc3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-10-12-19(13-11-17)22-24-23(29-25-22)20-9-5-6-14-26(20)21(27)16-28-15-18-7-3-2-4-8-18/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3
InChIKeyHJIMTDQGCAYUMG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.32
Rot. Bonds6

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

1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 42760371) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID42760371
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
SMILESCc1ccc(-c2noc(C3CCCCN3C(=O)COCc3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-10-12-19(13-11-17)22-24-23(29-25-22)20-9-5-6-14-26(20)21(27)16-28-15-18-7-3-2-4-8-18/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3
InChIKeyHJIMTDQGCAYUMG-UHFFFAOYSA-N
XLogP4.32
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 42765325
1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 813005
cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
2-(3-methylphenyl)-1-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 91906354
2-(3-methylphenyl)-1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 98042119
N-benzyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 5214054
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686960
1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75527839
N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone (CID 42760371) is 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone is Cc1ccc(-c2noc(C3CCCCN3C(=O)COCc3ccccc3)n2)cc1.
What is the InChIKey of 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is HJIMTDQGCAYUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-10-12-19(13-11-17)22-24-23(29-25-22)20-9-5-6-14-26(20)21(27)16-28-15-18-7-3-2-4-8-18/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3.
What are the key properties of 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone?
1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 391.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 42760371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).