ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate

C11H10N2O3 — CID 651752

IUPACethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)10-13-12-9(16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyIHWHTIPPAPNKLN-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.91
Rot. Bonds3

About ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate

ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 651752) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
PubChem CID651752
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)10-13-12-9(16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyIHWHTIPPAPNKLN-UHFFFAOYSA-N
XLogP1.91
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
Ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate
CID 2727400
Methyl phenyl-1,3,4-oxadiazole
CID 138101
1,3,4-Oxadiazole-2-methanol, 5-phenyl-
CID 3041361
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(hydroxymethyl)benzoate
CID 2403875
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl benzoate
CID 5178828
3-Phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 2362065
7-Phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)heptan-1-one
CID 11709766
1-(5-Phenyl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
CID 44389963
5-(4-Phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 118726286
Ethyl 5-(4-sulfamoylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 151887648
Butyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate
CID 589249

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate (CID 651752) is ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is IHWHTIPPAPNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-15-11(14)10-13-12-9(16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 651752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).