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

C10H14N4O2 — CID 114291364

IUPAC2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCc1nc(C)no1
InChIInChI=1S/C10H14N4O2/c1-4-10(3,6-11)9(15)12-5-8-13-7(2)14-16-8/h4-5H2,1-3H3,(H,12,15)
InChIKeyGDWSPIYEHITEMI-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.93
Rot. Bonds4

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

2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 114291364) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID114291364
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESCCC(C)(C#N)C(=O)NCc1nc(C)no1
InChIInChI=1S/C10H14N4O2/c1-4-10(3,6-11)9(15)12-5-8-13-7(2)14-16-8/h4-5H2,1-3H3,(H,12,15)
InChIKeyGDWSPIYEHITEMI-UHFFFAOYSA-N
XLogP0.93
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 65302481
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 62358635
2-(4-cyanophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 63374945
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile
CID 65249357
2-cyano-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 114291581
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
1-[(1-hydroxycyclohexyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 110936721
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 114291364) is 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide is CCC(C)(C#N)C(=O)NCc1nc(C)no1.
What is the InChIKey of 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is GDWSPIYEHITEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4-10(3,6-11)9(15)12-5-8-13-7(2)14-16-8/h4-5H2,1-3H3,(H,12,15).
What are the key properties of 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 222.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 114291364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).