5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C16H17N3O2 — CID 97437031

IUPAC5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1c(-c2nc([C@@H]3CCOC3)no2)n(C)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-10-12-5-3-4-6-13(12)19(2)14(10)16-17-15(18-21-16)11-7-8-20-9-11/h3-6,11H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyKJUQYFHXPVKAMU-LLVKDONJSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds2

About 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97437031) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97437031
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1c(-c2nc([C@@H]3CCOC3)no2)n(C)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-10-12-5-3-4-6-13(12)19(2)14(10)16-17-15(18-21-16)11-7-8-20-9-11/h3-6,11H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyKJUQYFHXPVKAMU-LLVKDONJSA-N
XLogP3.04
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97437031) is 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is Cc1c(-c2nc([C@@H]3CCOC3)no2)n(C)c2ccccc12.
What is the InChIKey of 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is KJUQYFHXPVKAMU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-12-5-3-4-6-13(12)19(2)14(10)16-17-15(18-21-16)11-7-8-20-9-11/h3-6,11H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 283.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97437031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).