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

C21H22N4O2 — CID 152923467

IUPAC2-[(1S)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)C[C@@H]1CCc2cc(-c3noc(C4(C)CC4)n3)ccc21
InChIInChI=1S/C21H22N4O2/c1-21(8-9-21)20-23-19(24-27-20)15-5-6-16-13(11-15)3-4-14(16)12-18(26)17-7-10-22-25(17)2/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyUJNYAINMNZNBFS-AWEZNQCLSA-N
MW362.43 g/mol
LogP3.82
Rot. Bonds5

About 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

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 (PubChem CID 152923467) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(1S)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methylpyrazol-3-yl)ethanone
PubChem CID152923467
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[(1S)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1C(=O)C[C@@H]1CCc2cc(-c3noc(C4(C)CC4)n3)ccc21
InChIInChI=1S/C21H22N4O2/c1-21(8-9-21)20-23-19(24-27-20)15-5-6-16-13(11-15)3-4-14(16)12-18(26)17-7-10-22-25(17)2/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyUJNYAINMNZNBFS-AWEZNQCLSA-N
XLogP3.82
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-methyl-N-[(1R)-5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412625
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
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
1-(1-methyl-1,2,4-triazol-3-yl)-2-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
CID 146751859
1-cyclopropyl-2-[(1S)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]ethanone
CID 161398738
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
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
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-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylbutan-2-one
CID 161460152
1-[(1S)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propan-2-one
CID 153149129
1,1-difluoro-3-[(1S)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propan-2-one
CID 161224329
2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412839

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nccc1C(=O)C[C@@H]1CCc2cc(-c3noc(C4(C)CC4)n3)ccc21.
What is the InChIKey of 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?
The InChIKey is UJNYAINMNZNBFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-21(8-9-21)20-23-19(24-27-20)15-5-6-16-13(11-15)3-4-14(16)12-18(26)17-7-10-22-25(17)2/h5-7,10-11,14H,3-4,8-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 362.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 152923467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).