[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

C25H20N2O5 — CID 27276566

IUPAC[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCCOC(=O)[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1
InChIInChI=1S/C25H20N2O5/c1-2-30-25(29)21(17-10-5-3-6-11-17)31-24(28)20-15-9-14-19(16-20)23-27-26-22(32-23)18-12-7-4-8-13-18/h3-16,21H,2H2,1H3/t21-/m1/s1
InChIKeyLVDGINAITMTTPN-OAQYLSRUSA-N
MW428.44 g/mol
LogP4.86
Rot. Bonds7

About [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 27276566) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID27276566
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCCOC(=O)[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1
InChIInChI=1S/C25H20N2O5/c1-2-30-25(29)21(17-10-5-3-6-11-17)31-24(28)20-15-9-14-19(16-20)23-27-26-22(32-23)18-12-7-4-8-13-18/h3-16,21H,2H2,1H3/t21-/m1/s1
InChIKeyLVDGINAITMTTPN-OAQYLSRUSA-N
XLogP4.86
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate with MolForge

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Related Compounds

[(2S)-1-oxo-1-phenylbutan-2-yl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 9172253
phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302224
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2304267
(4-bromophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2213747
(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2301804
(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302228
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 4215757
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 11837739
(2-cyano-3-phenylpropyl) 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 71969414
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 27276566) is [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is CCOC(=O)[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1.
What is the InChIKey of [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is LVDGINAITMTTPN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-2-30-25(29)21(17-10-5-3-6-11-17)31-24(28)20-15-9-14-19(16-20)23-27-26-22(32-23)18-12-7-4-8-13-18/h3-16,21H,2H2,1H3/t21-/m1/s1.
What are the key properties of [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 428.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 27276566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).