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

C24H18N2O4 — CID 11837743

IUPAC(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCC(OC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C24H18N2O4/c1-16(21(27)17-8-4-2-5-9-17)29-24(28)20-14-12-19(13-15-20)23-26-25-22(30-23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyXMZGSCOVUWDKRR-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.83
Rot. Bonds6

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

(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 11837743) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID11837743
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCC(OC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C24H18N2O4/c1-16(21(27)17-8-4-2-5-9-17)29-24(28)20-14-12-19(13-15-20)23-26-25-22(30-23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyXMZGSCOVUWDKRR-UHFFFAOYSA-N
XLogP4.83
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 11837739
[(2S)-1-oxo-1-phenylbutan-2-yl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 9172253
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727103
[(2S)-1-oxo-1-phenylpropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 42040137
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24519033
(1-oxo-1-phenylpropan-2-yl) 6-chloropyridine-3-carboxylate
CID 55313890
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7627264
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 55508690
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
(1-oxo-1-phenylpropan-2-yl) 4-(difluoromethylsulfonyl)benzoate
CID 16577929

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 11837743) is (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is CC(OC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is XMZGSCOVUWDKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-16(21(27)17-8-4-2-5-9-17)29-24(28)20-14-12-19(13-15-20)23-26-25-22(30-23)18-10-6-3-7-11-18/h2-16H,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 398.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 11837743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).