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

C18H22N2O2 — CID 174304762

IUPAC1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1cc(-c2ccccc2)no1)N1CCCCC1
InChIInChI=1S/C18H22N2O2/c1-2-16(20-11-7-4-8-12-20)18(21)17-13-15(19-22-17)14-9-5-3-6-10-14/h3,5-6,9-10,13,16H,2,4,7-8,11-12H2,1H3
InChIKeyXRJHLBBUAGRRPL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.79
Rot. Bonds5

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

1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one (PubChem CID 174304762) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one
PubChem CID174304762
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1cc(-c2ccccc2)no1)N1CCCCC1
InChIInChI=1S/C18H22N2O2/c1-2-16(20-11-7-4-8-12-20)18(21)17-13-15(19-22-17)14-9-5-3-6-10-14/h3,5-6,9-10,13,16H,2,4,7-8,11-12H2,1H3
InChIKeyXRJHLBBUAGRRPL-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(3-phenyl-1,2-oxazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 15227816
(1S,2S)-1-(3-phenyl-1,2-oxazol-5-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 139648109
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
[(3S,4S)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 133128773
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide
CID 92614545
2-(azocan-1-yl)butanoic acid
CID 43808973
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 29180510
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one (CID 174304762) is 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one is CCC(C(=O)c1cc(-c2ccccc2)no1)N1CCCCC1.
What is the InChIKey of 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one?
The InChIKey is XRJHLBBUAGRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-16(20-11-7-4-8-12-20)18(21)17-13-15(19-22-17)14-9-5-3-6-10-14/h3,5-6,9-10,13,16H,2,4,7-8,11-12H2,1H3.
What are the key properties of 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one?
1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one has a molecular weight of 298.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 174304762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).