ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate

C13H14N2O3 — CID 16767504

IUPACethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-2-17-13(16)12-15-14-11(18-12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyAULSQVDXJLAZKE-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.03
Rot. Bonds5

About ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 16767504) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID16767504
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C13H14N2O3/c1-2-17-13(16)12-15-14-11(18-12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyAULSQVDXJLAZKE-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619358
ethyl 5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
CID 116699772
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
ethyl 5-[(3-bromophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate
CID 112619281
ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
CID 143259904
ethyl 5-(hydroxymethyl)-1,3,4-oxadiazole-2-carboxylate
CID 131969481
ethyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960778
ethyl 5-octyl-1,3,4-oxadiazole-2-carboxylate
CID 112619344
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
ethyl 5-[2-(chloroamino)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 118374926
ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
CID 110393338

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate (CID 16767504) is ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is AULSQVDXJLAZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-17-13(16)12-15-14-11(18-12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 16767504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).