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

C17H18N2O4 — CID 2450031

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C17H18N2O4/c1-12-15(16(18-23-12)13-7-3-2-4-8-13)17(21)22-11-14(20)19-9-5-6-10-19/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyMPSZWIFLFSLGDD-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.43
Rot. Bonds4

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

(2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2450031) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2450031
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C17H18N2O4/c1-12-15(16(18-23-12)13-7-3-2-4-8-13)17(21)22-11-14(20)19-9-5-6-10-19/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyMPSZWIFLFSLGDD-UHFFFAOYSA-N
XLogP2.43
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2450031) is (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is MPSZWIFLFSLGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-15(16(18-23-12)13-7-3-2-4-8-13)17(21)22-11-14(20)19-9-5-6-10-19/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2450031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).