2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C13H12N4O3 — CID 3074715

IUPAC2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1nnc(NC(=O)CC#N)o1
InChIInChI=1S/C13H12N4O3/c1-2-19-10-6-4-3-5-9(10)12-16-17-13(20-12)15-11(18)7-8-14/h3-6H,2,7H2,1H3,(H,15,17,18)
InChIKeyJDMDZOGZBIALGM-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.99
Rot. Bonds5

About 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 3074715) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID3074715
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1nnc(NC(=O)CC#N)o1
InChIInChI=1S/C13H12N4O3/c1-2-19-10-6-4-3-5-9(10)12-16-17-13(20-12)15-11(18)7-8-14/h3-6H,2,7H2,1H3,(H,15,17,18)
InChIKeyJDMDZOGZBIALGM-UHFFFAOYSA-N
XLogP1.99
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 3074715) is 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CCOc1ccccc1-c1nnc(NC(=O)CC#N)o1.
What is the InChIKey of 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is JDMDZOGZBIALGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-2-19-10-6-4-3-5-9(10)12-16-17-13(20-12)15-11(18)7-8-14/h3-6H,2,7H2,1H3,(H,15,17,18).
What are the key properties of 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 272.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 3074715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).