2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone

C11H17N3O4 — CID 110269475

IUPAC2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOCc1nc(C2CCCCN2C(=O)CO)no1
InChIInChI=1S/C11H17N3O4/c1-17-7-9-12-11(13-18-9)8-4-2-3-5-14(8)10(16)6-15/h8,15H,2-7H2,1H3
InChIKeyHFHRDTHGJDXXJZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.26
Rot. Bonds4

About 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone

2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 110269475) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID110269475
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOCc1nc(C2CCCCN2C(=O)CO)no1
InChIInChI=1S/C11H17N3O4/c1-17-7-9-12-11(13-18-9)8-4-2-3-5-14(8)10(16)6-15/h8,15H,2-7H2,1H3
InChIKeyHFHRDTHGJDXXJZ-UHFFFAOYSA-N
XLogP0.26
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)-1-[(2S)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345540
2-(2-fluorophenyl)-1-[(2R)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345541
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole
CID 97344886
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
3-[(2S)-1-(benzenesulfonyl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 97344881
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
3-[1-(2-cyclopropylpyrimidin-4-yl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 75474342
1-[2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 91920652
(3,3-difluorocyclohexyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 136540499
2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 91920684

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 110269475) is 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is COCc1nc(C2CCCCN2C(=O)CO)no1.
What is the InChIKey of 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is HFHRDTHGJDXXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-17-7-9-12-11(13-18-9)8-4-2-3-5-14(8)10(16)6-15/h8,15H,2-7H2,1H3.
What are the key properties of 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 255.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110269475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).