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

C12H18N2O4 — CID 80707358

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC(C)(O)CC2)no1
InChIInChI=1S/C12H18N2O4/c1-12(16)3-5-14(6-4-12)11(15)10-7-9(8-17-2)18-13-10/h7,16H,3-6,8H2,1-2H3
InChIKeyPTXMZFAWAVSCRN-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.81
Rot. Bonds3

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

(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 80707358) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID80707358
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC(C)(O)CC2)no1
InChIInChI=1S/C12H18N2O4/c1-12(16)3-5-14(6-4-12)11(15)10-7-9(8-17-2)18-13-10/h7,16H,3-6,8H2,1-2H3
InChIKeyPTXMZFAWAVSCRN-UHFFFAOYSA-N
XLogP0.81
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
2-[4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]acetonitrile
CID 66156346
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
CID 114499703
(4-hydroxy-4-methylpiperidin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 80706468
(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 104930764
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
[4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 129003896
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
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

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 80707358) is (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CCC(C)(O)CC2)no1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is PTXMZFAWAVSCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(16)3-5-14(6-4-12)11(15)10-7-9(8-17-2)18-13-10/h7,16H,3-6,8H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 254.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 80707358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).