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

C12H10FN5O3 — CID 574498

IUPAC4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(Oc1ccc(F)cc1)c1nc(-c2nonc2N)no1
InChIInChI=1S/C12H10FN5O3/c1-6(19-8-4-2-7(13)3-5-8)12-15-11(18-20-12)9-10(14)17-21-16-9/h2-6H,1H3,(H2,14,17)
InChIKeyXJCSVJXNDMBFGT-UHFFFAOYSA-N
MW291.24 g/mol
LogP1.98
Rot. Bonds4

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

4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 574498) has the molecular formula C12H10FN5O3 and a molecular weight of 291.24 g/mol. Its IUPAC name is 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID574498
Molecular FormulaC12H10FN5O3
Molecular Weight291.24 g/mol
Exact Mass291.08
IUPAC Name4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(Oc1ccc(F)cc1)c1nc(-c2nonc2N)no1
InChIInChI=1S/C12H10FN5O3/c1-6(19-8-4-2-7(13)3-5-8)12-15-11(18-20-12)9-10(14)17-21-16-9/h2-6H,1H3,(H2,14,17)
InChIKeyXJCSVJXNDMBFGT-UHFFFAOYSA-N
XLogP1.98
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 574498) is 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is CC(Oc1ccc(F)cc1)c1nc(-c2nonc2N)no1.
What is the InChIKey of 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is XJCSVJXNDMBFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O3/c1-6(19-8-4-2-7(13)3-5-8)12-15-11(18-20-12)9-10(14)17-21-16-9/h2-6H,1H3,(H2,14,17).
What are the key properties of 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 291.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 574498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).