3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one

C19H23FN4O2 — CID 70788558

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
SMILESCN1C[C@H]2CC[C@@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2
InChIInChI=1S/C19H23FN4O2/c1-23-10-13-6-7-14(23)12-24(11-13)18(25)9-8-17-21-19(22-26-17)15-4-2-3-5-16(15)20/h2-5,13-14H,6-12H2,1H3/t13-,14-/m1/s1
InChIKeyWNLLOKRIPFHNMS-ZIAGYGMSSA-N
MW358.42 g/mol
LogP2.36
Rot. Bonds4

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one (PubChem CID 70788558) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
PubChem CID70788558
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
SMILESCN1C[C@H]2CC[C@@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2
InChIInChI=1S/C19H23FN4O2/c1-23-10-13-6-7-14(23)12-24(11-13)18(25)9-8-17-21-19(22-26-17)15-4-2-3-5-16(15)20/h2-5,13-14H,6-12H2,1H3/t13-,14-/m1/s1
InChIKeyWNLLOKRIPFHNMS-ZIAGYGMSSA-N
XLogP2.36
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one with MolForge

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Related Compounds

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 135087941
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 126436182
(3aR,6aR)-5-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599744
1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 170506769
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 5130333
1-(4-methylpiperidin-1-yl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 100761827
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15998462
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylphenyl)propanamide
CID 22431108
N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330731
3-(2-fluorophenyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one;formic acid
CID 171321497
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one (CID 70788558) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one is CN1C[C@H]2CC[C@@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
The InChIKey is WNLLOKRIPFHNMS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23-10-13-6-7-14(23)12-24(11-13)18(25)9-8-17-21-19(22-26-17)15-4-2-3-5-16(15)20/h2-5,13-14H,6-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one has a molecular weight of 358.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one is sourced from PubChem (CID 70788558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).