5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C14H15N3O3 — CID 114351090

IUPAC5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CNC(c2nc(C3COc4ccccc43)no2)C1
InChIInChI=1S/C14H15N3O3/c18-8-5-11(15-6-8)14-16-13(17-20-14)10-7-19-12-4-2-1-3-9(10)12/h1-4,8,10-11,15,18H,5-7H2
InChIKeyBBBGYVBJRDOMTG-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.99
Rot. Bonds2

About 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 114351090) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID114351090
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1CNC(c2nc(C3COc4ccccc43)no2)C1
InChIInChI=1S/C14H15N3O3/c18-8-5-11(15-6-8)14-16-13(17-20-14)10-7-19-12-4-2-1-3-9(10)12/h1-4,8,10-11,15,18H,5-7H2
InChIKeyBBBGYVBJRDOMTG-UHFFFAOYSA-N
XLogP0.99
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912368
3-(2,3-dihydro-1-benzofuran-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915112
3-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474204
(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971991
(3S,5S)-5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912517
(3R,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911324
(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912280
(3S,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912360

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 114351090) is 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1CNC(c2nc(C3COc4ccccc43)no2)C1.
What is the InChIKey of 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is BBBGYVBJRDOMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-8-5-11(15-6-8)14-16-13(17-20-14)10-7-19-12-4-2-1-3-9(10)12/h1-4,8,10-11,15,18H,5-7H2.
What are the key properties of 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 273.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 114351090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).