diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate

C19H25NO5 — CID 146164778

IUPACdiethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1onc(C23CC4CC(CC(C4)C2)C3)c1C(=O)OCC
InChIInChI=1S/C19H25NO5/c1-3-23-17(21)14-15(18(22)24-4-2)25-20-16(14)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-13H,3-10H2,1-2H3
InChIKeyWRGOPXMINDXWFZ-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.50
Rot. Bonds5

About diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate

diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate (PubChem CID 146164778) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate
PubChem CID146164778
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namediethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1onc(C23CC4CC(CC(C4)C2)C3)c1C(=O)OCC
InChIInChI=1S/C19H25NO5/c1-3-23-17(21)14-15(18(22)24-4-2)25-20-16(14)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-13H,3-10H2,1-2H3
InChIKeyWRGOPXMINDXWFZ-UHFFFAOYSA-N
XLogP3.50
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate 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 diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate (CID 146164778) is diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate is CCOC(=O)c1onc(C23CC4CC(CC(C4)C2)C3)c1C(=O)OCC.
What is the InChIKey of diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is WRGOPXMINDXWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-3-23-17(21)14-15(18(22)24-4-2)25-20-16(14)19-8-11-5-12(9-19)7-13(6-11)10-19/h11-13H,3-10H2,1-2H3.
What are the key properties of diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate?
diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 347.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(1-adamantyl)-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 146164778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).