(5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

C21H18N2O4 — CID 16869394

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)on1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H18N2O4/c24-20-11-16(13-23(20)18-9-5-2-6-10-18)21(25)26-14-17-12-19(27-22-17)15-7-3-1-4-8-15/h1-10,12,16H,11,13-14H2
InChIKeyLXTBNHGNSFSVBU-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.44
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

(5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 16869394) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID16869394
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)on1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H18N2O4/c24-20-11-16(13-23(20)18-9-5-2-6-10-18)21(25)26-14-17-12-19(27-22-17)15-7-3-1-4-8-15/h1-10,12,16H,11,13-14H2
InChIKeyLXTBNHGNSFSVBU-UHFFFAOYSA-N
XLogP3.44
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 16869394) is (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is O=C(OCc1cc(-c2ccccc2)on1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is LXTBNHGNSFSVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20-11-16(13-23(20)18-9-5-2-6-10-18)21(25)26-14-17-12-19(27-22-17)15-7-3-1-4-8-15/h1-10,12,16H,11,13-14H2.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
(5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 16869394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).