phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

C23H16N2O4 — CID 7302224

IUPACphenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1
InChIInChI=1S/C23H16N2O4/c26-20(16-8-3-1-4-9-16)15-28-23(27)19-13-7-12-18(14-19)22-25-24-21(29-22)17-10-5-2-6-11-17/h1-14H,15H2
InChIKeyCRHORCYVMLCZQX-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.44
Rot. Bonds6

About phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 7302224) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Namephenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID7302224
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Namephenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1
InChIInChI=1S/C23H16N2O4/c26-20(16-8-3-1-4-9-16)15-28-23(27)19-13-7-12-18(14-19)22-25-24-21(29-22)17-10-5-2-6-11-17/h1-14H,15H2
InChIKeyCRHORCYVMLCZQX-UHFFFAOYSA-N
XLogP4.44
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 7302224) is phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1.
What is the InChIKey of phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is CRHORCYVMLCZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-20(16-8-3-1-4-9-16)15-28-23(27)19-13-7-12-18(14-19)22-25-24-21(29-22)17-10-5-2-6-11-17/h1-14H,15H2.
What are the key properties of phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 384.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 7302224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).