2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide

C8H11N5O2 — CID 82358419

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cc1nonc1N
InChIInChI=1S/C8H11N5O2/c1-13(4-2-3-9)7(14)5-6-8(10)12-15-11-6/h2,4-5H2,1H3,(H2,10,12)
InChIKeySRIYDPNJEFOPFQ-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.43
Rot. Bonds4

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 82358419) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID82358419
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)Cc1nonc1N
InChIInChI=1S/C8H11N5O2/c1-13(4-2-3-9)7(14)5-6-8(10)12-15-11-6/h2,4-5H2,1H3,(H2,10,12)
InChIKeySRIYDPNJEFOPFQ-UHFFFAOYSA-N
XLogP-0.43
TPSA109.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-N-methylcarbamoyl chloride
CID 54246845
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922527
3-(aminomethyl)-N-(2-cyanoethyl)-N-methylpentanamide
CID 81071138
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
2-amino-N-(2-cyanoethyl)-N,2-dimethylpropanamide
CID 61265573
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61225137

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide (CID 82358419) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide is CN(CCC#N)C(=O)Cc1nonc1N.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is SRIYDPNJEFOPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-13(4-2-3-9)7(14)5-6-8(10)12-15-11-6/h2,4-5H2,1H3,(H2,10,12).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 209.21 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 82358419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).