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

C14H17N3O3 — CID 111334093

IUPAC(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2nc(CN3CC[C@@H](O)C3)no2)cc1
InChIInChI=1S/C14H17N3O3/c1-19-12-4-2-10(3-5-12)14-15-13(16-20-14)9-17-7-6-11(18)8-17/h2-5,11,18H,6-9H2,1H3/t11-/m1/s1
InChIKeyVGEKNWUCOHZDTM-LLVKDONJSA-N
MW275.31 g/mol
LogP1.31
Rot. Bonds4

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

(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 111334093) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
PubChem CID111334093
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2nc(CN3CC[C@@H](O)C3)no2)cc1
InChIInChI=1S/C14H17N3O3/c1-19-12-4-2-10(3-5-12)14-15-13(16-20-14)9-17-7-6-11(18)8-17/h2-5,11,18H,6-9H2,1H3/t11-/m1/s1
InChIKeyVGEKNWUCOHZDTM-LLVKDONJSA-N
XLogP1.31
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 78963885
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495
1-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42691863
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370309
1-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966872
[1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771767
3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 134700481
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol (CID 111334093) is (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol is COc1ccc(-c2nc(CN3CC[C@@H](O)C3)no2)cc1.
What is the InChIKey of (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is VGEKNWUCOHZDTM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-4-2-10(3-5-12)14-15-13(16-20-14)9-17-7-6-11(18)8-17/h2-5,11,18H,6-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 275.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 111334093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).