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

C17H14N2O3 — CID 54008795

IUPACethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)14-11-7-6-10-13(14)16-19-18-15(22-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyKQUZIZPBXUFBPW-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.58
Rot. Bonds4

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

ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 54008795) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID54008795
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)14-11-7-6-10-13(14)16-19-18-15(22-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyKQUZIZPBXUFBPW-UHFFFAOYSA-N
XLogP3.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methylphenyl)benzoate
CID 10922668
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate
CID 53012010
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391348
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 54008795) is ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is CCOC(=O)c1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is KQUZIZPBXUFBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-21-17(20)14-11-7-6-10-13(14)16-19-18-15(22-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 294.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 54008795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).