1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C10H17N3O2 — CID 114827144

IUPAC1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(C2COC(C)C2)n1
InChIInChI=1S/C10H17N3O2/c1-6(11)3-9-12-10(15-13-9)8-4-7(2)14-5-8/h6-8H,3-5,11H2,1-2H3
InChIKeyYHTWLMXUJFITDG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds3

About 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 114827144) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID114827144
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(C2COC(C)C2)n1
InChIInChI=1S/C10H17N3O2/c1-6(11)3-9-12-10(15-13-9)8-4-7(2)14-5-8/h6-8H,3-5,11H2,1-2H3
InChIKeyYHTWLMXUJFITDG-UHFFFAOYSA-N
XLogP0.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 114827144) is 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(C2COC(C)C2)n1.
What is the InChIKey of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is YHTWLMXUJFITDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(11)3-9-12-10(15-13-9)8-4-7(2)14-5-8/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 114827144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).