2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone

C21H24N4O3 — CID 160521729

IUPAC2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2cnn(CCOC)c2)no1
InChIInChI=1S/C21H24N4O3/c1-3-20-23-21(24-28-20)16-6-7-18-14(10-16)4-5-15(18)11-19(26)17-12-22-25(13-17)8-9-27-2/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3/t15-/m0/s1
InChIKeyQUJCUEBXQUYIHJ-HNNXBMFYSA-N
MW380.45 g/mol
LogP3.44
Rot. Bonds8

About 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone

2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone (PubChem CID 160521729) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone
PubChem CID160521729
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2cnn(CCOC)c2)no1
InChIInChI=1S/C21H24N4O3/c1-3-20-23-21(24-28-20)16-6-7-18-14(10-16)4-5-15(18)11-19(26)17-12-22-25(13-17)8-9-27-2/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3/t15-/m0/s1
InChIKeyQUJCUEBXQUYIHJ-HNNXBMFYSA-N
XLogP3.44
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone 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

2-[4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]pyrazol-1-yl]acetamide
CID 161069738
4-[2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-methylpyridin-2-one
CID 155296604
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
CID 147796551
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 139412640
2-[(1S)-5-[5-[(1R)-1-hydroxyethyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 158728401
methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
N-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330986
1-ethenyl-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412721
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139330786
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
2-[(1S)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methylpyrazol-3-yl)ethanone
CID 152923467
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
CID 139413045

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone (CID 160521729) is 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone is CCc1nc(-c2ccc3c(c2)CC[C@H]3CC(=O)c2cnn(CCOC)c2)no1.
What is the InChIKey of 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone?
The InChIKey is QUJCUEBXQUYIHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-20-23-21(24-28-20)16-6-7-18-14(10-16)4-5-15(18)11-19(26)17-12-22-25(13-17)8-9-27-2/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone?
2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 160521729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).