2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate

C12H18N2O3 — CID 54054153

IUPAC2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1oncc1C(=O)OCCN1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-10-11(9-13-17-10)12(15)16-8-7-14-5-3-2-4-6-14/h9H,2-8H2,1H3
InChIKeyLVAZOAMMYXKQPR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.63
Rot. Bonds4

About 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate

2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 54054153) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate
PubChem CID54054153
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1oncc1C(=O)OCCN1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-10-11(9-13-17-10)12(15)16-8-7-14-5-3-2-4-6-14/h9H,2-8H2,1H3
InChIKeyLVAZOAMMYXKQPR-UHFFFAOYSA-N
XLogP1.63
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate (CID 54054153) is 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate is Cc1oncc1C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is LVAZOAMMYXKQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-10-11(9-13-17-10)12(15)16-8-7-14-5-3-2-4-6-14/h9H,2-8H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate?
2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 54054153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).