2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide

C15H17N3O2 — CID 139412727

IUPAC2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILES[2H]C([2H])([2H])C(=O)N[C@@H]1CCc2cc(-c3noc(CC)n3)ccc21
InChIInChI=1S/C15H17N3O2/c1-3-14-17-15(18-20-14)11-4-6-12-10(8-11)5-7-13(12)16-9(2)19/h4,6,8,13H,3,5,7H2,1-2H3,(H,16,19)/t13-/m1/s1/i2D3
InChIKeyQLTPWIGPUOOVQL-SZIUSNIFSA-N
MW274.34 g/mol
LogP2.42
Rot. Bonds4

About 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide

2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 139412727) has the molecular formula C15H17N3O2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID139412727
Molecular FormulaC15H17N3O2
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILES[2H]C([2H])([2H])C(=O)N[C@@H]1CCc2cc(-c3noc(CC)n3)ccc21
InChIInChI=1S/C15H17N3O2/c1-3-14-17-15(18-20-14)11-4-6-12-10(8-11)5-7-13(12)16-9(2)19/h4,6,8,13H,3,5,7H2,1-2H3,(H,16,19)/t13-/m1/s1/i2D3
InChIKeyQLTPWIGPUOOVQL-SZIUSNIFSA-N
XLogP2.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 177230123
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139330786
(3R)-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 139412225
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 139413093
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 139412539
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 139412569
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-1,3-oxazole-5-carboxamide
CID 139412846
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2-methylpyridine-4-carboxamide
CID 139412659
1-ethenyl-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412721

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 139412727) is 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide is [2H]C([2H])([2H])C(=O)N[C@@H]1CCc2cc(-c3noc(CC)n3)ccc21.
What is the InChIKey of 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is QLTPWIGPUOOVQL-SZIUSNIFSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-14-17-15(18-20-14)11-4-6-12-10(8-11)5-7-13(12)16-9(2)19/h4,6,8,13H,3,5,7H2,1-2H3,(H,16,19)/t13-/m1/s1/i2D3.
What are the key properties of 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide?
2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 274.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 139412727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).