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

C9H17N3O — CID 63717622

IUPAC3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C(C)CC)no1
InChIInChI=1S/C9H17N3O/c1-4-6-10-9-11-8(12-13-9)7(3)5-2/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyGBKQBRSYXJJBJQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.40
Rot. Bonds5

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

3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 63717622) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID63717622
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C(C)CC)no1
InChIInChI=1S/C9H17N3O/c1-4-6-10-9-11-8(12-13-9)7(3)5-2/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyGBKQBRSYXJJBJQ-UHFFFAOYSA-N
XLogP2.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.40
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-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine (CID 63717622) is 3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(C(C)CC)no1.
What is the InChIKey of 3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is GBKQBRSYXJJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-6-10-9-11-8(12-13-9)7(3)5-2/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine?
3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 183.25 g/mol, XLogP of 2.40, 5 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-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63717622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).