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

C12H12N2O3 — CID 2727400

IUPACethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12N2O3/c1-2-16-11(15)8-10-13-14-12(17-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyYKJVDQWRCAHJGQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.84
Rot. Bonds4

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

ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate (PubChem CID 2727400) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate
PubChem CID2727400
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12N2O3/c1-2-16-11(15)8-10-13-14-12(17-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyYKJVDQWRCAHJGQ-UHFFFAOYSA-N
XLogP1.84
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate (CID 2727400) is ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate is CCOC(=O)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate?
The InChIKey is YKJVDQWRCAHJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-16-11(15)8-10-13-14-12(17-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate?
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate has a molecular weight of 232.24 g/mol, XLogP of 1.84, 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)acetate is sourced from PubChem (CID 2727400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).