2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol

C19H21N3O3 — CID 111490204

IUPAC2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESOC(CC1CCCN1Cc1noc(-c2ccoc2)n1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-17(14-5-2-1-3-6-14)11-16-7-4-9-22(16)12-18-20-19(25-21-18)15-8-10-24-13-15/h1-3,5-6,8,10,13,16-17,23H,4,7,9,11-12H2
InChIKeyDHOFXWQHWPDQCV-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.42
Rot. Bonds6

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

2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 111490204) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol
PubChem CID111490204
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESOC(CC1CCCN1Cc1noc(-c2ccoc2)n1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-17(14-5-2-1-3-6-14)11-16-7-4-9-22(16)12-18-20-19(25-21-18)15-8-10-24-13-15/h1-3,5-6,8,10,13,16-17,23H,4,7,9,11-12H2
InChIKeyDHOFXWQHWPDQCV-UHFFFAOYSA-N
XLogP3.42
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol with MolForge

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Related Compounds

2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol
CID 111111627
1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
2-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 71869510
[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312732
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanamine
CID 63255849
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 111490219
4-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanenitrile
CID 111490109
(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
CID 99848982

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol (CID 111490204) is 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol is OC(CC1CCCN1Cc1noc(-c2ccoc2)n1)c1ccccc1.
What is the InChIKey of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is DHOFXWQHWPDQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(14-5-2-1-3-6-14)11-16-7-4-9-22(16)12-18-20-19(25-21-18)15-8-10-24-13-15/h1-3,5-6,8,10,13,16-17,23H,4,7,9,11-12H2.
What are the key properties of 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol?
2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 339.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 111490204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).