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

C15H17N3O3 — CID 104912368

IUPAC(3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(C3COc4ccccc4C3)no2)C1
InChIInChI=1S/C15H17N3O3/c19-11-6-12(16-7-11)15-17-14(18-21-15)10-5-9-3-1-2-4-13(9)20-8-10/h1-4,10-12,16,19H,5-8H2/t10?,11-,12-/m1/s1
InChIKeyQIJUMCUDWSMZQH-PQDIPPBSSA-N
MW287.32 g/mol
LogP1.18
Rot. Bonds2

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

(3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912368) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912368
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(C3COc4ccccc4C3)no2)C1
InChIInChI=1S/C15H17N3O3/c19-11-6-12(16-7-11)15-17-14(18-21-15)10-5-9-3-1-2-4-13(9)20-8-10/h1-4,10-12,16,19H,5-8H2/t10?,11-,12-/m1/s1
InChIKeyQIJUMCUDWSMZQH-PQDIPPBSSA-N
XLogP1.18
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351090
3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900644
(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
4-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239500
(3R,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911324
(3S,5S)-5-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912360
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912474
5-(2-chloroethyl)-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole
CID 65415288
(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
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65412686

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912368) is (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CN[C@@H](c2nc(C3COc4ccccc4C3)no2)C1.
What is the InChIKey of (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is QIJUMCUDWSMZQH-PQDIPPBSSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-11-6-12(16-7-11)15-17-14(18-21-15)10-5-9-3-1-2-4-13(9)20-8-10/h1-4,10-12,16,19H,5-8H2/t10?,11-,12-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 287.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).