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

C15H17N3O2 — CID 104900644

IUPAC3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CC(c1noc([C@H]3CCCN3)n1)CO2
InChIInChI=1S/C15H17N3O2/c1-2-6-13-10(4-1)8-11(9-19-13)14-17-15(20-18-14)12-5-3-7-16-12/h1-2,4,6,11-12,16H,3,5,7-9H2/t11?,12-/m1/s1
InChIKeyLYAOOAYRSYZODB-PIJUOVFKSA-N
MW271.32 g/mol
LogP2.21
Rot. Bonds2

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

3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104900644) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID104900644
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CC(c1noc([C@H]3CCCN3)n1)CO2
InChIInChI=1S/C15H17N3O2/c1-2-6-13-10(4-1)8-11(9-19-13)14-17-15(20-18-14)12-5-3-7-16-12/h1-2,4,6,11-12,16H,3,5,7-9H2/t11?,12-/m1/s1
InChIKeyLYAOOAYRSYZODB-PIJUOVFKSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-2-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915114
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
3-(2,3-dihydro-1-benzofuran-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915112
4-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239500
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
3-(3,4-dihydro-2H-chromen-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914990
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916956
5-(2-chloroethyl)-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole
CID 65415288
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 104900644) is 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is c1ccc2c(c1)CC(c1noc([C@H]3CCCN3)n1)CO2.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is LYAOOAYRSYZODB-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-6-13-10(4-1)8-11(9-19-13)14-17-15(20-18-14)12-5-3-7-16-12/h1-2,4,6,11-12,16H,3,5,7-9H2/t11?,12-/m1/s1.
What are the key properties of 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104900644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).