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

C12H19N3O2 — CID 103985754

IUPAC1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(CC3CCOC3)no2)CCCC1
InChIInChI=1S/C12H19N3O2/c13-12(4-1-2-5-12)11-14-10(15-17-11)7-9-3-6-16-8-9/h9H,1-8,13H2
InChIKeyXUKOTBGRUXXNNH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.38
Rot. Bonds3

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

1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 103985754) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID103985754
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESNC1(c2nc(CC3CCOC3)no2)CCCC1
InChIInChI=1S/C12H19N3O2/c13-12(4-1-2-5-12)11-14-10(15-17-11)7-9-3-6-16-8-9/h9H,1-8,13H2
InChIKeyXUKOTBGRUXXNNH-UHFFFAOYSA-N
XLogP1.38
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 103985754) is 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is NC1(c2nc(CC3CCOC3)no2)CCCC1.
What is the InChIKey of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is XUKOTBGRUXXNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-12(4-1-2-5-12)11-14-10(15-17-11)7-9-3-6-16-8-9/h9H,1-8,13H2.
What are the key properties of 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 103985754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).