[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol

C17H23N3O3 — CID 110016891

IUPAC[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
SMILESCOc1cccc(-c2noc(CN3C(C)CCCC3CO)n2)c1
InChIInChI=1S/C17H23N3O3/c1-12-5-3-7-14(11-21)20(12)10-16-18-17(19-23-16)13-6-4-8-15(9-13)22-2/h4,6,8-9,12,14,21H,3,5,7,10-11H2,1-2H3
InChIKeyHUPBUXYVTOWSFE-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.48
Rot. Bonds5

About [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol

[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol (PubChem CID 110016891) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
PubChem CID110016891
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
SMILESCOc1cccc(-c2noc(CN3C(C)CCCC3CO)n2)c1
InChIInChI=1S/C17H23N3O3/c1-12-5-3-7-14(11-21)20(12)10-16-18-17(19-23-16)13-6-4-8-15(9-13)22-2/h4,6,8-9,12,14,21H,3,5,7,10-11H2,1-2H3
InChIKeyHUPBUXYVTOWSFE-UHFFFAOYSA-N
XLogP2.48
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol 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

[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293
(2S)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 124688617
[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110017032
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
(4aS,8aS)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95154066
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 112682859
3-(4-chlorophenyl)-5-[[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 55830718

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol (CID 110016891) is [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol is COc1cccc(-c2noc(CN3C(C)CCCC3CO)n2)c1.
What is the InChIKey of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
The InChIKey is HUPBUXYVTOWSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-5-3-7-14(11-21)20(12)10-16-18-17(19-23-16)13-6-4-8-15(9-13)22-2/h4,6,8-9,12,14,21H,3,5,7,10-11H2,1-2H3.
What are the key properties of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol?
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol has a molecular weight of 317.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 110016891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).