[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

C20H24F2N2O2 — CID 95557893

IUPAC[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C20H24F2N2O2/c1-2-5-19-16(12-23-26-19)20(25)24-11-4-6-14(13-24)9-10-15-17(21)7-3-8-18(15)22/h3,7-8,12,14H,2,4-6,9-11,13H2,1H3/t14-/m0/s1
InChIKeyQUVCEITZMSWIKP-AWEZNQCLSA-N
MW362.42 g/mol
LogP4.39
Rot. Bonds6

About [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (PubChem CID 95557893) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
PubChem CID95557893
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C20H24F2N2O2/c1-2-5-19-16(12-23-26-19)20(25)24-11-4-6-14(13-24)9-10-15-17(21)7-3-8-18(15)22/h3,7-8,12,14H,2,4-6,9-11,13H2,1H3/t14-/m0/s1
InChIKeyQUVCEITZMSWIKP-AWEZNQCLSA-N
XLogP4.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 25299156
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 26394219
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56874856
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 56872892
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95559981
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56919166
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 42564796

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (CID 95557893) is [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is CCCc1oncc1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1.
What is the InChIKey of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The InChIKey is QUVCEITZMSWIKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-2-5-19-16(12-23-26-19)20(25)24-11-4-6-14(13-24)9-10-15-17(21)7-3-8-18(15)22/h3,7-8,12,14H,2,4-6,9-11,13H2,1H3/t14-/m0/s1.
What are the key properties of [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone has a molecular weight of 362.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 95557893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).