[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone

C18H22N2O4 — CID 90574051

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(OCc2ccccc2)no1)N1CCCCC1CCO
InChIInChI=1S/C18H22N2O4/c21-11-9-15-8-4-5-10-20(15)18(22)16-12-17(19-24-16)23-13-14-6-2-1-3-7-14/h1-3,6-7,12,15,21H,4-5,8-11,13H2
InChIKeyWJDGKCRILYOHEV-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.63
Rot. Bonds6

About [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone (PubChem CID 90574051) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
PubChem CID90574051
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(OCc2ccccc2)no1)N1CCCCC1CCO
InChIInChI=1S/C18H22N2O4/c21-11-9-15-8-4-5-10-20(15)18(22)16-12-17(19-24-16)23-13-14-6-2-1-3-7-14/h1-3,6-7,12,15,21H,4-5,8-11,13H2
InChIKeyWJDGKCRILYOHEV-UHFFFAOYSA-N
XLogP2.63
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
CID 75463364
(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574055
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10135575
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 110886981
[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
CID 95981882

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone (CID 90574051) is [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone is O=C(c1cc(OCc2ccccc2)no1)N1CCCCC1CCO.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is WJDGKCRILYOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-11-9-15-8-4-5-10-20(15)18(22)16-12-17(19-24-16)23-13-14-6-2-1-3-7-14/h1-3,6-7,12,15,21H,4-5,8-11,13H2.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 330.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90574051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).