3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine

C8H15N3O — CID 106659529

IUPAC3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCCCC(C)Nc1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-4-5-6(2)9-8-10-7(3)11-12-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyUQNAIPCVMYMGSM-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.98
Rot. Bonds4

About 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine

3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 106659529) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID106659529
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCCCC(C)Nc1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-4-5-6(2)9-8-10-7(3)11-12-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyUQNAIPCVMYMGSM-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine (CID 106659529) is 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine is CCCC(C)Nc1nc(C)no1.
What is the InChIKey of 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is UQNAIPCVMYMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5-6(2)9-8-10-7(3)11-12-8/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine?
3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 169.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).