(2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C18H20N2O4 — CID 2614597

IUPAC(2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C18H20N2O4/c1-13-16(17(19-24-13)14-8-4-2-5-9-14)18(22)23-12-15(21)20-10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyACKDJFDRWCNUKF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.82
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2614597) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2614597
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C18H20N2O4/c1-13-16(17(19-24-13)14-8-4-2-5-9-14)18(22)23-12-15(21)20-10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyACKDJFDRWCNUKF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2614597) is (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is ACKDJFDRWCNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-16(17(19-24-13)14-8-4-2-5-9-14)18(22)23-12-15(21)20-10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2614597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).