5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide

C9H17N3O2 — CID 22912833

IUPAC5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide
SMILESCc1noc(CC(C)(C)C)n1.NC=O
InChIInChI=1S/C8H14N2O.CH3NO/c1-6-9-7(11-10-6)5-8(2,3)4;2-1-3/h5H2,1-4H3;1H,(H2,2,3)
InChIKeyWXWTZLMZMVZVRQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.07
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide

5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide (PubChem CID 22912833) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide
PubChem CID22912833
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide
SMILESCc1noc(CC(C)(C)C)n1.NC=O
InChIInChI=1S/C8H14N2O.CH3NO/c1-6-9-7(11-10-6)5-8(2,3)4;2-1-3/h5H2,1-4H3;1H,(H2,2,3)
InChIKeyWXWTZLMZMVZVRQ-UHFFFAOYSA-N
XLogP1.07
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115079139
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354500
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 131114260
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66409452
5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61126774

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide (CID 22912833) is 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide is Cc1noc(CC(C)(C)C)n1.NC=O.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide?
The InChIKey is WXWTZLMZMVZVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.CH3NO/c1-6-9-7(11-10-6)5-8(2,3)4;2-1-3/h5H2,1-4H3;1H,(H2,2,3).
What are the key properties of 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide?
5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide has a molecular weight of 199.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;formamide is sourced from PubChem (CID 22912833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).