3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine

C8H15N3O — CID 63717621

IUPAC3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(C(C)CC)no1
InChIInChI=1S/C8H15N3O/c1-4-6(3)7-10-8(9-5-2)12-11-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyVQSQUMREXLAOAC-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.01
Rot. Bonds4

About 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine

3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine (PubChem CID 63717621) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine
PubChem CID63717621
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(C(C)CC)no1
InChIInChI=1S/C8H15N3O/c1-4-6(3)7-10-8(9-5-2)12-11-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyVQSQUMREXLAOAC-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine (CID 63717621) is 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine is CCNc1nc(C(C)CC)no1.
What is the InChIKey of 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is VQSQUMREXLAOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-6(3)7-10-8(9-5-2)12-11-7/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine?
3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 169.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63717621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).