5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine

C7H13N3O — CID 63692240

IUPAC5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine
SMILESCC(C)CCc1nc(N)no1
InChIInChI=1S/C7H13N3O/c1-5(2)3-4-6-9-7(8)10-11-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyQMYPCAZHPBFQEJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.24
Rot. Bonds3

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

5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine (PubChem CID 63692240) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine
PubChem CID63692240
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine
SMILESCC(C)CCc1nc(N)no1
InChIInChI=1S/C7H13N3O/c1-5(2)3-4-6-9-7(8)10-11-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyQMYPCAZHPBFQEJ-UHFFFAOYSA-N
XLogP1.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine (CID 63692240) is 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine is CC(C)CCc1nc(N)no1.
What is the InChIKey of 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is QMYPCAZHPBFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)3-4-6-9-7(8)10-11-6/h5H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine?
5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 155.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63692240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).