methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate

C13H18N2O5 — CID 115280103

IUPACmethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)COc1cc(C)on1
InChIInChI=1S/C13H18N2O5/c1-9-7-11(14-20-9)19-8-12(16)15-6-4-3-5-10(15)13(17)18-2/h7,10H,3-6,8H2,1-2H3
InChIKeyBZSSBKGZEQMBCM-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.92
Rot. Bonds4

About methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate

methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate (PubChem CID 115280103) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate
PubChem CID115280103
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namemethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)COc1cc(C)on1
InChIInChI=1S/C13H18N2O5/c1-9-7-11(14-20-9)19-8-12(16)15-6-4-3-5-10(15)13(17)18-2/h7,10H,3-6,8H2,1-2H3
InChIKeyBZSSBKGZEQMBCM-UHFFFAOYSA-N
XLogP0.92
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
CID 106741827
4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid
CID 114427323
(2R,4R)-4-hydroxy-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
CID 79000771
methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate
CID 61106803
ethyl (2R)-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-2-carboxylate
CID 52539403
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
methyl 1-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylate
CID 78842938
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
CID 79832834
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate (CID 115280103) is methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)COc1cc(C)on1.
What is the InChIKey of methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate?
The InChIKey is BZSSBKGZEQMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9-7-11(14-20-9)19-8-12(16)15-6-4-3-5-10(15)13(17)18-2/h7,10H,3-6,8H2,1-2H3.
What are the key properties of methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate?
methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 115280103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).