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

C11H17N3O3 — CID 103985680

IUPAC4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(CC2CCOC2)no1
InChIInChI=1S/C11H17N3O3/c12-9-6-16-5-8(9)11-13-10(14-17-11)3-7-1-2-15-4-7/h7-9H,1-6,12H2
InChIKeyLEIJEGKSOIVXGW-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.09
Rot. Bonds3

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

4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 103985680) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID103985680
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(CC2CCOC2)no1
InChIInChI=1S/C11H17N3O3/c12-9-6-16-5-8(9)11-13-10(14-17-11)3-7-1-2-15-4-7/h7-9H,1-6,12H2
InChIKeyLEIJEGKSOIVXGW-UHFFFAOYSA-N
XLogP0.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 103985680) is 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1COCC1c1nc(CC2CCOC2)no1.
What is the InChIKey of 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is LEIJEGKSOIVXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-9-6-16-5-8(9)11-13-10(14-17-11)3-7-1-2-15-4-7/h7-9H,1-6,12H2.
What are the key properties of 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 239.27 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 103985680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).