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

C16H18N2O2 — CID 154098737

IUPAC1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O2/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2
InChIKeySYEDXTSAUVCRJX-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.01
Rot. Bonds4

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

1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone (PubChem CID 154098737) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone
PubChem CID154098737
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O2/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2
InChIKeySYEDXTSAUVCRJX-UHFFFAOYSA-N
XLogP3.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158157

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone (CID 154098737) is 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is SYEDXTSAUVCRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2.
What are the key properties of 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone?
1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 270.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 154098737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).