1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one

C19H21N3O3 — CID 97454098

IUPAC1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one
SMILESCCCC(=O)c1cn(Cc2nc([C@H]3CCOC3)no2)c2ccccc12
InChIInChI=1S/C19H21N3O3/c1-2-5-17(23)15-10-22(16-7-4-3-6-14(15)16)11-18-20-19(21-25-18)13-8-9-24-12-13/h3-4,6-7,10,13H,2,5,8-9,11-12H2,1H3/t13-/m0/s1
InChIKeyQICBBAIYRYXHAI-ZDUSSCGKSA-N
MW339.40 g/mol
LogP3.56
Rot. Bonds6

About 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one

1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one (PubChem CID 97454098) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one
PubChem CID97454098
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one
SMILESCCCC(=O)c1cn(Cc2nc([C@H]3CCOC3)no2)c2ccccc12
InChIInChI=1S/C19H21N3O3/c1-2-5-17(23)15-10-22(16-7-4-3-6-14(15)16)11-18-20-19(21-25-18)13-8-9-24-12-13/h3-4,6-7,10,13H,2,5,8-9,11-12H2,1H3/t13-/m0/s1
InChIKeyQICBBAIYRYXHAI-ZDUSSCGKSA-N
XLogP3.56
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one?
The IUPAC name of 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one (CID 97454098) is 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one.
What is the SMILES notation for 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one?
The canonical SMILES for 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one is CCCC(=O)c1cn(Cc2nc([C@H]3CCOC3)no2)c2ccccc12.
What is the InChIKey of 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one?
The InChIKey is QICBBAIYRYXHAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-5-17(23)15-10-22(16-7-4-3-6-14(15)16)11-18-20-19(21-25-18)13-8-9-24-12-13/h3-4,6-7,10,13H,2,5,8-9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one?
1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one has a molecular weight of 339.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]indol-3-yl]butan-1-one is sourced from PubChem (CID 97454098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).