[5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol

C31H35N3O3 — CID 143736447

IUPAC[5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol
SMILESCCC1CCN(Cc2nc(C(O)(c3ccccc3)c3ccccc3)no2)CC1Oc1ccc(C)c(C)c1
InChIInChI=1S/C31H35N3O3/c1-4-24-17-18-34(20-28(24)36-27-16-15-22(2)23(3)19-27)21-29-32-30(33-37-29)31(35,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,19,24,28,35H,4,17-18,20-21H2,1-3H3
InChIKeyKUVNQNKHASSGRZ-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.65
Rot. Bonds8

About [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol

[5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol (PubChem CID 143736447) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol
PubChem CID143736447
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC Name[5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol
SMILESCCC1CCN(Cc2nc(C(O)(c3ccccc3)c3ccccc3)no2)CC1Oc1ccc(C)c(C)c1
InChIInChI=1S/C31H35N3O3/c1-4-24-17-18-34(20-28(24)36-27-16-15-22(2)23(3)19-27)21-29-32-30(33-37-29)31(35,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,19,24,28,35H,4,17-18,20-21H2,1-3H3
InChIKeyKUVNQNKHASSGRZ-UHFFFAOYSA-N
XLogP5.65
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol 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

[5-[[(3R)-4-ethyl-3-phenoxypiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol
CID 143736489
[5-[[(3R)-3-(2,3-dihydro-1H-inden-5-yloxy)-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol chloride
CID 44816904
[5-[[4-ethyl-3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 143736583
5-[[3-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 127437910
[5-[[3-(3-chloro-4-methylphenoxy)-4-ethylpiperidin-1-ium-1-yl]methyl]-1,3-oxazol-2-yl]-diphenylmethanol
CID 143736492
(R)-cyclohexyl-[5-[[(3R)-3-(4-fluoro-3-methylphenoxy)-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-phenylmethanol chloride
CID 44814655
(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol
CID 13186898
[5-[[(3R)-3-(4-fluoro-3-methylphenoxy)-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-1,2-oxazol-3-yl]-diphenylmethanol
CID 44816559
chloromethane;[5-[(4-ethyl-3-phenylsulfanylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol
CID 143736542
(3S,4R)-4-benzyl-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 136586170
1-[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110020364
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol?
The IUPAC name of [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol (CID 143736447) is [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol.
What is the SMILES notation for [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol?
The canonical SMILES for [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol is CCC1CCN(Cc2nc(C(O)(c3ccccc3)c3ccccc3)no2)CC1Oc1ccc(C)c(C)c1.
What is the InChIKey of [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol?
The InChIKey is KUVNQNKHASSGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-4-24-17-18-34(20-28(24)36-27-16-15-22(2)23(3)19-27)21-29-32-30(33-37-29)31(35,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,19,24,28,35H,4,17-18,20-21H2,1-3H3.
What are the key properties of [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol?
[5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol has a molecular weight of 497.64 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3,4-dimethylphenoxy)-4-ethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-diphenylmethanol is sourced from PubChem (CID 143736447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).