ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate

C19H22N2O4 — CID 735822

IUPACethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C19H22N2O4/c1-3-24-19(23)15-9-11-21(12-10-15)18(22)16-13(2)25-20-17(16)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyYPQLHSXFEAWIPG-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.07
Rot. Bonds4

About ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 735822) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID735822
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Nameethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C19H22N2O4/c1-3-24-19(23)15-9-11-21(12-10-15)18(22)16-13(2)25-20-17(16)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyYPQLHSXFEAWIPG-UHFFFAOYSA-N
XLogP3.07
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate (CID 735822) is ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1.
What is the InChIKey of ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is YPQLHSXFEAWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-19(23)15-9-11-21(12-10-15)18(22)16-13(2)25-20-17(16)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3.
What are the key properties of ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).