diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate

C19H25NO5 — CID 102256655

IUPACdiethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate
SMILESCCCC1C(C(=O)OCC)=C(C(=O)OCC)ON1Cc1ccccc1
InChIInChI=1S/C19H25NO5/c1-4-10-15-16(18(21)23-5-2)17(19(22)24-6-3)25-20(15)13-14-11-8-7-9-12-14/h7-9,11-12,15H,4-6,10,13H2,1-3H3
InChIKeyIFRPQFYMGPHVKA-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.98
Rot. Bonds8

About diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate

diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate (PubChem CID 102256655) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate
PubChem CID102256655
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namediethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate
SMILESCCCC1C(C(=O)OCC)=C(C(=O)OCC)ON1Cc1ccccc1
InChIInChI=1S/C19H25NO5/c1-4-10-15-16(18(21)23-5-2)17(19(22)24-6-3)25-20(15)13-14-11-8-7-9-12-14/h7-9,11-12,15H,4-6,10,13H2,1-3H3
InChIKeyIFRPQFYMGPHVKA-UHFFFAOYSA-N
XLogP2.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate (CID 102256655) is diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate is CCCC1C(C(=O)OCC)=C(C(=O)OCC)ON1Cc1ccccc1.
What is the InChIKey of diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is IFRPQFYMGPHVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-4-10-15-16(18(21)23-5-2)17(19(22)24-6-3)25-20(15)13-14-11-8-7-9-12-14/h7-9,11-12,15H,4-6,10,13H2,1-3H3.
What are the key properties of diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate?
diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 347.41 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-benzyl-3-propyl-3H-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).