2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile

C10H16N4O — CID 65249357

IUPAC2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile
SMILESCc1noc(CNCCC(C)(C)C#N)n1
InChIInChI=1S/C10H16N4O/c1-8-13-9(15-14-8)6-12-5-4-10(2,3)7-11/h12H,4-6H2,1-3H3
InChIKeyJZXYNODYBCJPOA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.41
Rot. Bonds5

About 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile

2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile (PubChem CID 65249357) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile
PubChem CID65249357
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile
SMILESCc1noc(CNCCC(C)(C)C#N)n1
InChIInChI=1S/C10H16N4O/c1-8-13-9(15-14-8)6-12-5-4-10(2,3)7-11/h12H,4-6H2,1-3H3
InChIKeyJZXYNODYBCJPOA-UHFFFAOYSA-N
XLogP1.41
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
CID 114186188
4,4-dimethyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]hexanoic acid
CID 65287090
3,3,3-trifluoro-2-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]propanenitrile
CID 103367094
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517
2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 114291364
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
1,5-dimethyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrrole-2-carbonitrile
CID 115614626
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889111
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103178672
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893857

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile (CID 65249357) is 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile is Cc1noc(CNCCC(C)(C)C#N)n1.
What is the InChIKey of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile?
The InChIKey is JZXYNODYBCJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-13-9(15-14-8)6-12-5-4-10(2,3)7-11/h12H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile?
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile has a molecular weight of 208.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butanenitrile is sourced from PubChem (CID 65249357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).