1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine

C10H17N3O2 — CID 62646791

IUPAC1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C2CCOC2)n1
InChIInChI=1S/C10H17N3O2/c1-2-8(11)5-9-12-10(15-13-9)7-3-4-14-6-7/h7-8H,2-6,11H2,1H3
InChIKeyYTAUHTUTUDLMOE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds4

About 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine

1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 62646791) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID62646791
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(C2CCOC2)n1
InChIInChI=1S/C10H17N3O2/c1-2-8(11)5-9-12-10(15-13-9)7-3-4-14-6-7/h7-8H,2-6,11H2,1H3
InChIKeyYTAUHTUTUDLMOE-UHFFFAOYSA-N
XLogP0.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 62646791) is 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(N)Cc1noc(C2CCOC2)n1.
What is the InChIKey of 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is YTAUHTUTUDLMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-8(11)5-9-12-10(15-13-9)7-3-4-14-6-7/h7-8H,2-6,11H2,1H3.
What are the key properties of 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 62646791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).