1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one

C12H16N2O4 — CID 114499703

IUPAC1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
SMILESCOCc1cc(C(=O)N2CCC(=O)C(C)C2)no1
InChIInChI=1S/C12H16N2O4/c1-8-6-14(4-3-11(8)15)12(16)10-5-9(7-17-2)18-13-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyLLHPGOSULQADIX-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.87
Rot. Bonds3

About 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one

1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one (PubChem CID 114499703) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
PubChem CID114499703
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
SMILESCOCc1cc(C(=O)N2CCC(=O)C(C)C2)no1
InChIInChI=1S/C12H16N2O4/c1-8-6-14(4-3-11(8)15)12(16)10-5-9(7-17-2)18-13-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyLLHPGOSULQADIX-UHFFFAOYSA-N
XLogP0.87
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 104930764
[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
N'-hydroxy-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboximidamide
CID 77113549
N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide
CID 79680718
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80707358
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 96565686
[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 96565687
2-[4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]acetonitrile
CID 66156346
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 103441084

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one (CID 114499703) is 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one is COCc1cc(C(=O)N2CCC(=O)C(C)C2)no1.
What is the InChIKey of 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one?
The InChIKey is LLHPGOSULQADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-6-14(4-3-11(8)15)12(16)10-5-9(7-17-2)18-13-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one?
1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one has a molecular weight of 252.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 114499703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).