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

C11H15F2N3O2 — CID 114215270

IUPAC4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(C2CCC(F)(F)C2)no1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)2-1-6(3-11)9-15-10(18-16-9)7-4-17-5-8(7)14/h6-8H,1-5,14H2
InChIKeyZTOCKGGBKMUAOE-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.41
Rot. Bonds2

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

4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 114215270) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID114215270
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1COCC1c1nc(C2CCC(F)(F)C2)no1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)2-1-6(3-11)9-15-10(18-16-9)7-4-17-5-8(7)14/h6-8H,1-5,14H2
InChIKeyZTOCKGGBKMUAOE-UHFFFAOYSA-N
XLogP1.41
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 114215270) is 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1COCC1c1nc(C2CCC(F)(F)C2)no1.
What is the InChIKey of 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is ZTOCKGGBKMUAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-11(13)2-1-6(3-11)9-15-10(18-16-9)7-4-17-5-8(7)14/h6-8H,1-5,14H2.
What are the key properties of 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 259.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 114215270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).