(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

C12H17N3O4 — CID 104930764

IUPAC(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC(=NO)C(C)C2)no1
InChIInChI=1S/C12H17N3O4/c1-8-6-15(4-3-10(8)13-17)12(16)11-5-9(7-18-2)19-14-11/h5,8,17H,3-4,6-7H2,1-2H3
InChIKeyWRPHFSQZGMQRFS-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.13
Rot. Bonds3

About (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 104930764) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID104930764
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC(=NO)C(C)C2)no1
InChIInChI=1S/C12H17N3O4/c1-8-6-15(4-3-10(8)13-17)12(16)11-5-9(7-18-2)19-14-11/h5,8,17H,3-4,6-7H2,1-2H3
InChIKeyWRPHFSQZGMQRFS-UHFFFAOYSA-N
XLogP1.13
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
CID 114499703
N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide
CID 79680718
N'-hydroxy-1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-3-carboximidamide
CID 77113549
[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103118431
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80707358
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114500890
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 114500887
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 114500880
[(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

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 104930764) is (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CCC(=NO)C(C)C2)no1.
What is the InChIKey of (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is WRPHFSQZGMQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-6-15(4-3-10(8)13-17)12(16)11-5-9(7-18-2)19-14-11/h5,8,17H,3-4,6-7H2,1-2H3.
What are the key properties of (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 267.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 104930764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).