5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine

C7H11N3O2 — CID 65159319

IUPAC5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CC2CCCO2)n1
InChIInChI=1S/C7H11N3O2/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,10)
InChIKeyDNMBRRXBDUZBJY-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.37
Rot. Bonds2

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

5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 65159319) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
PubChem CID65159319
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CC2CCCO2)n1
InChIInChI=1S/C7H11N3O2/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,10)
InChIKeyDNMBRRXBDUZBJY-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine (CID 65159319) is 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(CC2CCCO2)n1.
What is the InChIKey of 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is DNMBRRXBDUZBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,10).
What are the key properties of 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 169.18 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65159319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).