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

C13H14N2O3 — CID 164897034

IUPACethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-2-17-13(16)9-12-15-14-11(18-12)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyAWDXSGJBVJHAFD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.77
Rot. Bonds5

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

ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate (PubChem CID 164897034) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
PubChem CID164897034
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-2-17-13(16)9-12-15-14-11(18-12)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyAWDXSGJBVJHAFD-UHFFFAOYSA-N
XLogP1.77
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-(benzylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 141463340
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 53265037
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
CID 58747624
ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
CID 110393338
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
N,N-dimethyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25282570
ethyl 2-(2-benzyl-3-oxopyridazin-4-yl)acetate
CID 68976287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate (CID 164897034) is ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate is CCOC(=O)Cc1nnc(Cc2ccccc2)o1.
What is the InChIKey of ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate?
The InChIKey is AWDXSGJBVJHAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-17-13(16)9-12-15-14-11(18-12)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate?
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate has a molecular weight of 246.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate is sourced from PubChem (CID 164897034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).