2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid

C13H18N2O6 — CID 66156931

IUPAC2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
SMILESCOCc1cc(C(=O)N2CCC(OCC(=O)O)CC2)no1
InChIInChI=1S/C13H18N2O6/c1-19-7-10-6-11(14-21-10)13(18)15-4-2-9(3-5-15)20-8-12(16)17/h6,9H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyUEOXZXJMZVNBAF-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.53
Rot. Bonds6

About 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid

2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid (PubChem CID 66156931) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
PubChem CID66156931
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
SMILESCOCc1cc(C(=O)N2CCC(OCC(=O)O)CC2)no1
InChIInChI=1S/C13H18N2O6/c1-19-7-10-6-11(14-21-10)13(18)15-4-2-9(3-5-15)20-8-12(16)17/h6,9H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyUEOXZXJMZVNBAF-UHFFFAOYSA-N
XLogP0.53
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80707358
[(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-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
2-[4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]acetonitrile
CID 66156346
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]-3-methylpiperidin-4-one
CID 114499703
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 104930764

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid (CID 66156931) is 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid is COCc1cc(C(=O)N2CCC(OCC(=O)O)CC2)no1.
What is the InChIKey of 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is UEOXZXJMZVNBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-19-7-10-6-11(14-21-10)13(18)15-4-2-9(3-5-15)20-8-12(16)17/h6,9H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid?
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 298.30 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 66156931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).