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

C14H12ClN3O2 — CID 136767992

IUPAC5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1c(-c2nc([C@@H]3CCOC3)no2)[nH]c2ccccc12
InChIInChI=1S/C14H12ClN3O2/c15-11-9-3-1-2-4-10(9)16-12(11)14-17-13(18-20-14)8-5-6-19-7-8/h1-4,8,16H,5-7H2/t8-/m1/s1
InChIKeyGRMVNGBTNBEZSN-MRVPVSSYSA-N
MW289.72 g/mol
LogP3.38
Rot. Bonds2

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

5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 136767992) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID136767992
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESClc1c(-c2nc([C@@H]3CCOC3)no2)[nH]c2ccccc12
InChIInChI=1S/C14H12ClN3O2/c15-11-9-3-1-2-4-10(9)16-12(11)14-17-13(18-20-14)8-5-6-19-7-8/h1-4,8,16H,5-7H2/t8-/m1/s1
InChIKeyGRMVNGBTNBEZSN-MRVPVSSYSA-N
XLogP3.38
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136903584
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 97438027
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
CID 97446166
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437031
5-(2-methoxyquinolin-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434816
5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434815
3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 97444146
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 136767992) is 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is Clc1c(-c2nc([C@@H]3CCOC3)no2)[nH]c2ccccc12.
What is the InChIKey of 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is GRMVNGBTNBEZSN-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-9-3-1-2-4-10(9)16-12(11)14-17-13(18-20-14)8-5-6-19-7-8/h1-4,8,16H,5-7H2/t8-/m1/s1.
What are the key properties of 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 289.72 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 136767992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).