1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol

C18H25N3O3 — CID 84590494

IUPAC1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1nc(-c2cccc(OCC(O)CN3CCC(C)CC3)c2)no1
InChIInChI=1S/C18H25N3O3/c1-13-6-8-21(9-7-13)11-16(22)12-23-17-5-3-4-15(10-17)18-19-14(2)24-20-18/h3-5,10,13,16,22H,6-9,11-12H2,1-2H3
InChIKeyDYBMIZUOHXIGGL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.52
Rot. Bonds6

About 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 84590494) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID84590494
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1nc(-c2cccc(OCC(O)CN3CCC(C)CC3)c2)no1
InChIInChI=1S/C18H25N3O3/c1-13-6-8-21(9-7-13)11-16(22)12-23-17-5-3-4-15(10-17)18-19-14(2)24-20-18/h3-5,10,13,16,22H,6-9,11-12H2,1-2H3
InChIKeyDYBMIZUOHXIGGL-UHFFFAOYSA-N
XLogP2.52
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 95859468
1-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 86895566
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
ethyl 3-[2-hydroxy-3-(3-methylpyrrolidin-1-yl)propoxy]benzoate
CID 86880419
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 84590494) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol is Cc1nc(-c2cccc(OCC(O)CN3CCC(C)CC3)c2)no1.
What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is DYBMIZUOHXIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-6-8-21(9-7-13)11-16(22)12-23-17-5-3-4-15(10-17)18-19-14(2)24-20-18/h3-5,10,13,16,22H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 331.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 84590494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).