5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C15H15N3O2 — CID 136903584

IUPAC5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1c(-c2nc([C@H]3CCOC3)no2)[nH]c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-9-11-4-2-3-5-12(11)16-13(9)15-17-14(18-20-15)10-6-7-19-8-10/h2-5,10,16H,6-8H2,1H3/t10-/m0/s1
InChIKeyDAAWHVCZISYFNS-JTQLQIEISA-N
MW269.30 g/mol
LogP3.03
Rot. Bonds2

About 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 136903584) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID136903584
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1c(-c2nc([C@H]3CCOC3)no2)[nH]c2ccccc12
InChIInChI=1S/C15H15N3O2/c1-9-11-4-2-3-5-12(11)16-13(9)15-17-14(18-20-15)10-6-7-19-8-10/h2-5,10,16H,6-8H2,1H3/t10-/m0/s1
InChIKeyDAAWHVCZISYFNS-JTQLQIEISA-N
XLogP3.03
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437031
6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 97438027
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437360
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
3-methyl-2-(oxan-4-yl)-1H-indole
CID 156814176
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 136903584) is 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Cc1c(-c2nc([C@H]3CCOC3)no2)[nH]c2ccccc12.
What is the InChIKey of 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is DAAWHVCZISYFNS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-11-4-2-3-5-12(11)16-13(9)15-17-14(18-20-15)10-6-7-19-8-10/h2-5,10,16H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 269.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 136903584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).