methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate

C12H18N2O3 — CID 123527140

IUPACmethyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CCC(C)NC2)oc1C
InChIInChI=1S/C12H18N2O3/c1-7-4-5-9(6-13-7)11-14-10(8(2)17-11)12(15)16-3/h7,9,13H,4-6H2,1-3H3
InChIKeyQKTRSCIAOGEQGY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.63
Rot. Bonds2

About methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate

methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate (PubChem CID 123527140) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate
PubChem CID123527140
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CCC(C)NC2)oc1C
InChIInChI=1S/C12H18N2O3/c1-7-4-5-9(6-13-7)11-14-10(8(2)17-11)12(15)16-3/h7,9,13H,4-6H2,1-3H3
InChIKeyQKTRSCIAOGEQGY-UHFFFAOYSA-N
XLogP1.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate (CID 123527140) is methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(C2CCC(C)NC2)oc1C.
What is the InChIKey of methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is QKTRSCIAOGEQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-4-5-9(6-13-7)11-14-10(8(2)17-11)12(15)16-3/h7,9,13H,4-6H2,1-3H3.
What are the key properties of methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate?
methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(6-methylpiperidin-3-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 123527140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).