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

C11H10N2O3 — CID 6461838

IUPACethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)10-12-9(13-16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyGIGKBTJPLNTFON-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.91
Rot. Bonds3

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

ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate (PubChem CID 6461838) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
PubChem CID6461838
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C11H10N2O3/c1-2-15-11(14)10-12-9(13-16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyGIGKBTJPLNTFON-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate (CID 6461838) is ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is GIGKBTJPLNTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-15-11(14)10-12-9(13-16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-phenyl-1,2,4-oxadiazole-5-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 3-phenyl-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 6461838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).