5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine

C9H17N3O — CID 89333441

IUPAC5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CC(C)(C)c1nnc(N)o1
InChIInChI=1S/C9H17N3O/c1-6(2)5-9(3,4)7-11-12-8(10)13-7/h6H,5H2,1-4H3,(H2,10,12)
InChIKeyHRWRTJHQVKQDCF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.98
Rot. Bonds3

About 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine

5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 89333441) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID89333441
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CC(C)(C)c1nnc(N)o1
InChIInChI=1S/C9H17N3O/c1-6(2)5-9(3,4)7-11-12-8(10)13-7/h6H,5H2,1-4H3,(H2,10,12)
InChIKeyHRWRTJHQVKQDCF-UHFFFAOYSA-N
XLogP1.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine (CID 89333441) is 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine is CC(C)CC(C)(C)c1nnc(N)o1.
What is the InChIKey of 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HRWRTJHQVKQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)5-9(3,4)7-11-12-8(10)13-7/h6H,5H2,1-4H3,(H2,10,12).
What are the key properties of 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 89333441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).