2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid

C12H19N3O4 — CID 63903585

IUPAC2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCCc1noc(CN2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C12H19N3O4/c1-2-10-13-11(19-14-10)7-15-5-3-9(4-6-15)18-8-12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeyYWVIHBBQVMOGFB-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.70
Rot. Bonds6

About 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid

2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63903585) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID63903585
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESCCc1noc(CN2CCC(OCC(=O)O)CC2)n1
InChIInChI=1S/C12H19N3O4/c1-2-10-13-11(19-14-10)7-15-5-3-9(4-6-15)18-8-12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeyYWVIHBBQVMOGFB-UHFFFAOYSA-N
XLogP0.70
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849645
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107044942
2-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 114557952
methyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 78920518
azetidin-1-yl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methanone
CID 166270081
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 60718797
2-[3-[(3R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126448943
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid (CID 63903585) is 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid is CCc1noc(CN2CCC(OCC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is YWVIHBBQVMOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-10-13-11(19-14-10)7-15-5-3-9(4-6-15)18-8-12(16)17/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 269.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63903585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).