[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C14H20N2O4 — CID 4557140

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)N1CCCCC1C
InChIInChI=1S/C14H20N2O4/c1-9-6-4-5-7-16(9)12(17)8-19-14(18)13-10(2)15-20-11(13)3/h9H,4-8H2,1-3H3
InChIKeyIBWYZLWGDMVCTM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.85
Rot. Bonds3

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 4557140) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID4557140
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)N1CCCCC1C
InChIInChI=1S/C14H20N2O4/c1-9-6-4-5-7-16(9)12(17)8-19-14(18)13-10(2)15-20-11(13)3/h9H,4-8H2,1-3H3
InChIKeyIBWYZLWGDMVCTM-UHFFFAOYSA-N
XLogP1.85
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4237777
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550538
(3-Ethyl-5-methylisoxazol-4-yl)(morpholino)methanone
CID 1245299
3,5-Dimethyl-4-isoxazolecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester
CID 2115012
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 5094473
[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793
[1-(Methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3927260
(3,5-Dimethyl-4-isoxazolyl)(morpholino)methanone
CID 2741522
(3,5-Dimethyl-4-isoxazolyl)(2,6-dimethylmorpholino)methanone
CID 3751691
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2560801

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 4557140) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)N1CCCCC1C.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is IBWYZLWGDMVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-6-4-5-7-16(9)12(17)8-19-14(18)13-10(2)15-20-11(13)3/h9H,4-8H2,1-3H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4557140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).