[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone

C18H23FN2O2 — CID 97465298

IUPAC[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C1
InChIInChI=1S/C18H23FN2O2/c1-12-8-13(2)11-21(10-12)17(22)18(3)9-16(20-23-18)14-6-4-5-7-15(14)19/h4-7,12-13H,8-11H2,1-3H3/t12-,13-,18+/m1/s1
InChIKeyVOZOCYBNYWMPJZ-VFVRVIDISA-N
MW318.39 g/mol
LogP3.21
Rot. Bonds2

About [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (PubChem CID 97465298) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
PubChem CID97465298
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C1
InChIInChI=1S/C18H23FN2O2/c1-12-8-13(2)11-21(10-12)17(22)18(3)9-16(20-23-18)14-6-4-5-7-15(14)19/h4-7,12-13H,8-11H2,1-3H3/t12-,13-,18+/m1/s1
InChIKeyVOZOCYBNYWMPJZ-VFVRVIDISA-N
XLogP3.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465305
(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465423
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 100815735
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 102551802
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725051
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 91946054
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97465323
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (CID 97465298) is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is C[C@@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The InChIKey is VOZOCYBNYWMPJZ-VFVRVIDISA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-12-8-13(2)11-21(10-12)17(22)18(3)9-16(20-23-18)14-6-4-5-7-15(14)19/h4-7,12-13H,8-11H2,1-3H3/t12-,13-,18+/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone has a molecular weight of 318.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 97465298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).