[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone

C17H22N2O4 — CID 164639845

IUPAC[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
SMILESCCc1ccc([C@@H]2CCCCN2C(=O)c2conc2COC)o1
InChIInChI=1S/C17H22N2O4/c1-3-12-7-8-16(23-12)15-6-4-5-9-19(15)17(20)13-10-22-18-14(13)11-21-2/h7-8,10,15H,3-6,9,11H2,1-2H3/t15-/m0/s1
InChIKeyLUIDOXFQNDXCIO-HNNXBMFYSA-N
MW318.37 g/mol
LogP3.34
Rot. Bonds5

About [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone

[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone (PubChem CID 164639845) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
PubChem CID164639845
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
SMILESCCc1ccc([C@@H]2CCCCN2C(=O)c2conc2COC)o1
InChIInChI=1S/C17H22N2O4/c1-3-12-7-8-16(23-12)15-6-4-5-9-19(15)17(20)13-10-22-18-14(13)11-21-2/h7-8,10,15H,3-6,9,11H2,1-2H3/t15-/m0/s1
InChIKeyLUIDOXFQNDXCIO-HNNXBMFYSA-N
XLogP3.34
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone with MolForge

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Related Compounds

(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 136532778
5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690417
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 91661571
1-bicyclo[1.1.0]butanyl-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
CID 167774935
[(2R)-2-(5-ethylfuran-2-yl)azepan-1-yl]-[5-(methylsulfonylmethyl)furan-2-yl]methanone
CID 96996576
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-ethylfuran-2-yl)azepan-1-yl]propan-1-one
CID 56794218
2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[2-(5-ethylfuran-2-yl)azepan-1-yl]methanone
CID 154737191
[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 136526441
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124874162
(3aR,7aR)-2-[2-[(2S)-2-(5-ethylfuran-2-yl)azepan-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124730747
[2-(5-ethylfuran-2-yl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136539919

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone (CID 164639845) is [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone is CCc1ccc([C@@H]2CCCCN2C(=O)c2conc2COC)o1.
What is the InChIKey of [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is LUIDOXFQNDXCIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-12-7-8-16(23-12)15-6-4-5-9-19(15)17(20)13-10-22-18-14(13)11-21-2/h7-8,10,15H,3-6,9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone?
[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 318.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 164639845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).