ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate

C18H20N2O4 — CID 2962286

IUPACethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)14-9-6-10-20(12-14)17(21)15-11-16(24-19-15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3
InChIKeyXLLPTNNPFHNWBE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.76
Rot. Bonds4

About ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 2962286) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID2962286
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)14-9-6-10-20(12-14)17(21)15-11-16(24-19-15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3
InChIKeyXLLPTNNPFHNWBE-UHFFFAOYSA-N
XLogP2.76
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate (CID 2962286) is ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is XLLPTNNPFHNWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-18(22)14-9-6-10-20(12-14)17(21)15-11-16(24-19-15)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3.
What are the key properties of ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 2962286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).