1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one

C20H25FN2O2 — CID 124941072

IUPAC1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@@](C)(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C20H25FN2O2/c1-14(2)18(24)23-9-5-8-20(3,13-23)19-22-12-17(25-19)11-15-6-4-7-16(21)10-15/h4,6-7,10,12,14H,5,8-9,11,13H2,1-3H3/t20-/m1/s1
InChIKeyAKRXCLHUEXEMAR-HXUWFJFHSA-N
MW344.43 g/mol
LogP3.94
Rot. Bonds4

About 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one

1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 124941072) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID124941072
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@@](C)(c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C20H25FN2O2/c1-14(2)18(24)23-9-5-8-20(3,13-23)19-22-12-17(25-19)11-15-6-4-7-16(21)10-15/h4,6-7,10,12,14H,5,8-9,11,13H2,1-3H3/t20-/m1/s1
InChIKeyAKRXCLHUEXEMAR-HXUWFJFHSA-N
XLogP3.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125014318
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124993154
3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-N,N,3-trimethylpiperidine-1-sulfonamide
CID 110099324
1-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-piperidin-1-ylethanone
CID 110110786
cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone
CID 110110461
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124992944
1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124948903
1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone
CID 110111025
5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124999034
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 125020355
1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 124976269
1-[2-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110119672

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one (CID 124941072) is 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC[C@@](C)(c2ncc(Cc3cccc(F)c3)o2)C1.
What is the InChIKey of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is AKRXCLHUEXEMAR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)18(24)23-9-5-8-20(3,13-23)19-22-12-17(25-19)11-15-6-4-7-16(21)10-15/h4,6-7,10,12,14H,5,8-9,11,13H2,1-3H3/t20-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one?
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 344.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 124941072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).