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

C15H19N3O3 — CID 111103293

IUPAC[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc(-c2noc(CN3CCCC3CO)n2)c1
InChIInChI=1S/C15H19N3O3/c1-20-13-6-2-4-11(8-13)15-16-14(21-17-15)9-18-7-3-5-12(18)10-19/h2,4,6,8,12,19H,3,5,7,9-10H2,1H3
InChIKeyOHYSXYBUUGYLOO-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.70
Rot. Bonds5

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

[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 111103293) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID111103293
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCOc1cccc(-c2noc(CN3CCCC3CO)n2)c1
InChIInChI=1S/C15H19N3O3/c1-20-13-6-2-4-11(8-13)15-16-14(21-17-15)9-18-7-3-5-12(18)10-19/h2,4,6,8,12,19H,3,5,7,9-10H2,1H3
InChIKeyOHYSXYBUUGYLOO-UHFFFAOYSA-N
XLogP1.70
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110016891
(2S)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 124688617
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
3-(4-chlorophenyl)-5-[[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 55830718
(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
3-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 110918967
5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8856027
[(2R)-1-[[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95972817
3-(2-methoxyphenyl)-5-[[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 55829170
3-(3-methoxy-4-methylphenyl)-5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97006376
3-(3-bromophenyl)-5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42921594

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol (CID 111103293) is [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol is COc1cccc(-c2noc(CN3CCCC3CO)n2)c1.
What is the InChIKey of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OHYSXYBUUGYLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-13-6-2-4-11(8-13)15-16-14(21-17-15)9-18-7-3-5-12(18)10-19/h2,4,6,8,12,19H,3,5,7,9-10H2,1H3.
What are the key properties of [1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 1.70, 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]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111103293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).