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

C14H13F2N3O2 — CID 139412601

IUPAC2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILES[2H]C([2H])([2H])c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)C(F)F)no1
InChIInChI=1S/C14H13F2N3O2/c1-7-17-13(19-21-7)9-2-4-10-8(6-9)3-5-11(10)18-14(20)12(15)16/h2,4,6,11-12H,3,5H2,1H3,(H,18,20)/t11-/m1/s1/i1D3
InChIKeyYIUBKQWNHSZYBA-KMKPOHAJSA-N
MW296.29 g/mol
LogP2.41
Rot. Bonds4

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

2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 139412601) has the molecular formula C14H13F2N3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID139412601
Molecular FormulaC14H13F2N3O2
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILES[2H]C([2H])([2H])c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)C(F)F)no1
InChIInChI=1S/C14H13F2N3O2/c1-7-17-13(19-21-7)9-2-4-10-8(6-9)3-5-11(10)18-14(20)12(15)16/h2,4,6,11-12H,3,5H2,1H3,(H,18,20)/t11-/m1/s1/i1D3
InChIKeyYIUBKQWNHSZYBA-KMKPOHAJSA-N
XLogP2.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
1-[(1S)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]propan-2-one
CID 153149129
3-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 139412365
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
2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424967
1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea
CID 139412282
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-2-methylpropanamide
CID 139412191
2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
CID 139412361
N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 139412646
5-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139412194
methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide
CID 155277877

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 139412601) is 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is [2H]C([2H])([2H])c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)C(F)F)no1.
What is the InChIKey of 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is YIUBKQWNHSZYBA-KMKPOHAJSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-7-17-13(19-21-7)9-2-4-10-8(6-9)3-5-11(10)18-14(20)12(15)16/h2,4,6,11-12H,3,5H2,1H3,(H,18,20)/t11-/m1/s1/i1D3.
What are the key properties of 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 296.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 139412601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).