[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

C20H26N2O3 — CID 96580621

IUPAC[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3/c1-2-6-19-17(14-21-25-19)20(24)22-11-9-16(10-12-22)18(23)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,23H,2,6,9-13H2,1H3/t18-/m0/s1
InChIKeyTVEVGHLZLKYLGB-SFHVURJKSA-N
MW342.44 g/mol
LogP3.08
Rot. Bonds6

About [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone

[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (PubChem CID 96580621) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
PubChem CID96580621
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
SMILESCCCc1oncc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3/c1-2-6-19-17(14-21-25-19)20(24)22-11-9-16(10-12-22)18(23)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,23H,2,6,9-13H2,1H3/t18-/m0/s1
InChIKeyTVEVGHLZLKYLGB-SFHVURJKSA-N
XLogP3.08
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
(2-cyclopropylpyrimidin-5-yl)-[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 96572285
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70767388
(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
CID 97208136
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95557893
5-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 70756218
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170086

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone (CID 96580621) is [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is CCCc1oncc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1.
What is the InChIKey of [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
The InChIKey is TVEVGHLZLKYLGB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-6-19-17(14-21-25-19)20(24)22-11-9-16(10-12-22)18(23)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,23H,2,6,9-13H2,1H3/t18-/m0/s1.
What are the key properties of [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone?
[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 96580621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).