(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

C22H21N3O4 — CID 25163806

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H21N3O4/c26-20-13-18(14-25(20)12-11-16-7-3-1-4-8-16)22(27)28-15-19-23-24-21(29-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyPIQDQXDTPIUCCI-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.87
Rot. Bonds7

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (PubChem CID 25163806) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
PubChem CID25163806
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C22H21N3O4/c26-20-13-18(14-25(20)12-11-16-7-3-1-4-8-16)22(27)28-15-19-23-24-21(29-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChIKeyPIQDQXDTPIUCCI-UHFFFAOYSA-N
XLogP2.87
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (CID 25163806) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The InChIKey is PIQDQXDTPIUCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-20-13-18(14-25(20)12-11-16-7-3-1-4-8-16)22(27)28-15-19-23-24-21(29-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate has a molecular weight of 391.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 25163806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).