1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine

C7H11N3O2 — CID 82837899

IUPAC1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine
SMILESNC(c1ncon1)C1CCCO1
InChIInChI=1S/C7H11N3O2/c8-6(5-2-1-3-11-5)7-9-4-12-10-7/h4-6H,1-3,8H2
InChIKeyOPZYNELIZWDFJN-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.25
Rot. Bonds2

About 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine

1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine (PubChem CID 82837899) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine
PubChem CID82837899
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine
SMILESNC(c1ncon1)C1CCCO1
InChIInChI=1S/C7H11N3O2/c8-6(5-2-1-3-11-5)7-9-4-12-10-7/h4-6H,1-3,8H2
InChIKeyOPZYNELIZWDFJN-UHFFFAOYSA-N
XLogP0.25
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine?
The IUPAC name of 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine (CID 82837899) is 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine.
What is the SMILES notation for 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine?
The canonical SMILES for 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine is NC(c1ncon1)C1CCCO1.
What is the InChIKey of 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine?
The InChIKey is OPZYNELIZWDFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6(5-2-1-3-11-5)7-9-4-12-10-7/h4-6H,1-3,8H2.
What are the key properties of 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine?
1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine has a molecular weight of 169.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazol-3-yl(oxolan-2-yl)methanamine is sourced from PubChem (CID 82837899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).