4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C8H9F2N5O3 — CID 103146384

IUPAC4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(CCOCC(F)F)no1
InChIInChI=1S/C8H9F2N5O3/c9-4(10)3-16-2-1-5-12-8(17-13-5)6-7(11)15-18-14-6/h4H,1-3H2,(H2,11,15)
InChIKeyIPLSWXPVXZVVIT-UHFFFAOYSA-N
MW261.19 g/mol
LogP0.53
Rot. Bonds6

About 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 103146384) has the molecular formula C8H9F2N5O3 and a molecular weight of 261.19 g/mol. Its IUPAC name is 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID103146384
Molecular FormulaC8H9F2N5O3
Molecular Weight261.19 g/mol
Exact Mass261.07
IUPAC Name4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(CCOCC(F)F)no1
InChIInChI=1S/C8H9F2N5O3/c9-4(10)3-16-2-1-5-12-8(17-13-5)6-7(11)15-18-14-6/h4H,1-3H2,(H2,11,15)
InChIKeyIPLSWXPVXZVVIT-UHFFFAOYSA-N
XLogP0.53
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 103146384) is 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(CCOCC(F)F)no1.
What is the InChIKey of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is IPLSWXPVXZVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5O3/c9-4(10)3-16-2-1-5-12-8(17-13-5)6-7(11)15-18-14-6/h4H,1-3H2,(H2,11,15).
What are the key properties of 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 261.19 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 103146384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).