2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

C17H18F2N4O2 — CID 118773486

IUPAC2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H18F2N4O2/c18-12-2-1-3-13(19)16(12)17-21-14(22-25-17)7-20-15(24)9-23-8-10-4-5-11(23)6-10/h1-3,10-11H,4-9H2,(H,20,24)/t10-,11+/m1/s1
InChIKeyVKEWYHMYWLONNE-MNOVXSKESA-N
MW348.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 118773486) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID118773486
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H18F2N4O2/c18-12-2-1-3-13(19)16(12)17-21-14(22-25-17)7-20-15(24)9-23-8-10-4-5-11(23)6-10/h1-3,10-11H,4-9H2,(H,20,24)/t10-,11+/m1/s1
InChIKeyVKEWYHMYWLONNE-MNOVXSKESA-N
XLogP2.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 122569155
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CID 50974928
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1-ethyl-3-oxopiperazin-2-yl)acetamide
CID 135103186
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136967913
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]acetamide
CID 91841754
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide
CID 118780727
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]acetamide
CID 118778380
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91792992
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
2-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 102555498
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72895081
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-tert-butylphenyl)acetamide
CID 87031351

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 118773486) is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1noc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is VKEWYHMYWLONNE-MNOVXSKESA-N. The full InChI is InChI=1S/C17H18F2N4O2/c18-12-2-1-3-13(19)16(12)17-21-14(22-25-17)7-20-15(24)9-23-8-10-4-5-11(23)6-10/h1-3,10-11H,4-9H2,(H,20,24)/t10-,11+/m1/s1.
What are the key properties of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 348.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 118773486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).