2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid

C13H20N2O4 — CID 66191336

IUPAC2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
SMILESCOCc1cc(CN2CCCCC2CC(=O)O)no1
InChIInChI=1S/C13H20N2O4/c1-18-9-12-6-10(14-19-12)8-15-5-3-2-4-11(15)7-13(16)17/h6,11H,2-5,7-9H2,1H3,(H,16,17)
InChIKeyVJYJXVGXDPEOQJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.65
Rot. Bonds6

About 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid

2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid (PubChem CID 66191336) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
PubChem CID66191336
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
SMILESCOCc1cc(CN2CCCCC2CC(=O)O)no1
InChIInChI=1S/C13H20N2O4/c1-18-9-12-6-10(14-19-12)8-15-5-3-2-4-11(15)7-13(16)17/h6,11H,2-5,7-9H2,1H3,(H,16,17)
InChIKeyVJYJXVGXDPEOQJ-UHFFFAOYSA-N
XLogP1.65
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
CID 79535895
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]ethanamine
CID 66191145
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79535849
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 66189756
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]acetic acid
CID 66189555
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
CID 82906606
2-[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372120
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 66189969
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid (CID 66191336) is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid is COCc1cc(CN2CCCCC2CC(=O)O)no1.
What is the InChIKey of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid?
The InChIKey is VJYJXVGXDPEOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-9-12-6-10(14-19-12)8-15-5-3-2-4-11(15)7-13(16)17/h6,11H,2-5,7-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid?
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 66191336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).