2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

C12H18N4O2 — CID 106417457

IUPAC2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C12H18N4O2/c1-4-12(5-2,8-13)11(17)14-7-6-10-15-9(3)18-16-10/h4-7H2,1-3H3,(H,14,17)
InChIKeyLPAJUVYVQJXJJE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.37
Rot. Bonds6

About 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide

2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 106417457) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID106417457
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCCc1noc(C)n1
InChIInChI=1S/C12H18N4O2/c1-4-12(5-2,8-13)11(17)14-7-6-10-15-9(3)18-16-10/h4-7H2,1-3H3,(H,14,17)
InChIKeyLPAJUVYVQJXJJE-UHFFFAOYSA-N
XLogP1.37
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106416217
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
CID 55207876
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
CID 106842209
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide
CID 106416066
2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106420330
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 55207137
2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
CID 68754902
3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420257
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 106417457) is 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is CCC(C#N)(CC)C(=O)NCCc1noc(C)n1.
What is the InChIKey of 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is LPAJUVYVQJXJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-12(5-2,8-13)11(17)14-7-6-10-15-9(3)18-16-10/h4-7H2,1-3H3,(H,14,17).
What are the key properties of 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 250.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 106417457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).