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

C29H20N2O4 — CID 2301804

IUPAC(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1cccc(C(=O)c2ccccc2)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C29H20N2O4/c32-26(21-10-3-1-4-11-21)23-14-7-9-20(17-23)19-34-29(33)25-16-8-15-24(18-25)28-31-30-27(35-28)22-12-5-2-6-13-22/h1-18H,19H2
InChIKeyWEIINWYEQOCOFM-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.99
Rot. Bonds7

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

(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 2301804) has the molecular formula C29H20N2O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID2301804
Molecular FormulaC29H20N2O4
Molecular Weight460.49 g/mol
Exact Mass460.14
IUPAC Name(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1cccc(C(=O)c2ccccc2)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C29H20N2O4/c32-26(21-10-3-1-4-11-21)23-14-7-9-20(17-23)19-34-29(33)25-16-8-15-24(18-25)28-31-30-27(35-28)22-12-5-2-6-13-22/h1-18H,19H2
InChIKeyWEIINWYEQOCOFM-UHFFFAOYSA-N
XLogP5.99
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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
phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302224
(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302228
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(methoxymethyl)benzoate
CID 18145195
[(2S)-1-oxo-1-phenylbutan-2-yl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 9172253
[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
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(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
CID 26178971
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 19616438
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate
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Frequently Asked Questions

What is the IUPAC name of (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 2301804) is (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is O=C(OCc1cccc(C(=O)c2ccccc2)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is WEIINWYEQOCOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O4/c32-26(21-10-3-1-4-11-21)23-14-7-9-20(17-23)19-34-29(33)25-16-8-15-24(18-25)28-31-30-27(35-28)22-12-5-2-6-13-22/h1-18H,19H2.
What are the key properties of (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 460.49 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 2301804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).