2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one

C18H22N2O2 — CID 15227816

IUPAC2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H22N2O2/c1-14(13-20-10-6-3-7-11-20)18(21)17-12-16(19-22-17)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3
InChIKeyYOFLXLIHPZPCFM-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.65
Rot. Bonds5

About 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one

2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 15227816) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID15227816
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC(CN1CCCCC1)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H22N2O2/c1-14(13-20-10-6-3-7-11-20)18(21)17-12-16(19-22-17)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3
InChIKeyYOFLXLIHPZPCFM-UHFFFAOYSA-N
XLogP3.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one
CID 174304762
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
[(3S,4S)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 133128773
1-(2,1-benzoxazol-3-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 19976900
[(1S,2R)-1-(3-phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-ylmethyl)butyl] carbamate
CID 139928761
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 122564163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one (CID 15227816) is 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one is CC(CN1CCCCC1)C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is YOFLXLIHPZPCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(13-20-10-6-3-7-11-20)18(21)17-12-16(19-22-17)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3.
What are the key properties of 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one?
2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 298.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 15227816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).