5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine

C7H9F2N3O — CID 130831448

IUPAC5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2CCCC2(F)F)n1
InChIInChI=1S/C7H9F2N3O/c8-7(9)3-1-2-4(7)5-11-6(10)12-13-5/h4H,1-3H2,(H2,10,12)
InChIKeyUQUIQDANMXKSNF-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.55
Rot. Bonds1

About 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine

5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine (PubChem CID 130831448) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine
PubChem CID130831448
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(C2CCCC2(F)F)n1
InChIInChI=1S/C7H9F2N3O/c8-7(9)3-1-2-4(7)5-11-6(10)12-13-5/h4H,1-3H2,(H2,10,12)
InChIKeyUQUIQDANMXKSNF-UHFFFAOYSA-N
XLogP1.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine (CID 130831448) is 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine is Nc1noc(C2CCCC2(F)F)n1.
What is the InChIKey of 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is UQUIQDANMXKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)3-1-2-4(7)5-11-6(10)12-13-5/h4H,1-3H2,(H2,10,12).
What are the key properties of 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine?
5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 189.16 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopentyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 130831448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).