ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate

C16H26N2O4 — CID 70705639

IUPACethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(C(O)CC(C)C)CC2)n1
InChIInChI=1S/C16H26N2O4/c1-4-21-15(20)13-10-22-16(17-13)18-7-5-12(6-8-18)14(19)9-11(2)3/h10-12,14,19H,4-9H2,1-3H3
InChIKeyXGLLHGMLVKFWGM-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.47
Rot. Bonds6

About ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate (PubChem CID 70705639) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
PubChem CID70705639
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nameethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC(C(O)CC(C)C)CC2)n1
InChIInChI=1S/C16H26N2O4/c1-4-21-15(20)13-10-22-16(17-13)18-7-5-12(6-8-18)14(19)9-11(2)3/h10-12,14,19H,4-9H2,1-3H3
InChIKeyXGLLHGMLVKFWGM-UHFFFAOYSA-N
XLogP2.47
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-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 ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate (CID 70705639) is ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCC(C(O)CC(C)C)CC2)n1.
What is the InChIKey of ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is XGLLHGMLVKFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-21-15(20)13-10-22-16(17-13)18-7-5-12(6-8-18)14(19)9-11(2)3/h10-12,14,19H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 70705639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).