4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C11H8FN5O2 — CID 55115137

IUPAC4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C11H8FN5O2/c12-7-3-1-2-6(4-7)5-8-14-11(18-15-8)9-10(13)17-19-16-9/h1-4H,5H2,(H2,13,17)
InChIKeyPNHKQNBMYQXKNI-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.43
Rot. Bonds3

About 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 55115137) has the molecular formula C11H8FN5O2 and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID55115137
Molecular FormulaC11H8FN5O2
Molecular Weight261.22 g/mol
Exact Mass261.07
IUPAC Name4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C11H8FN5O2/c12-7-3-1-2-6(4-7)5-8-14-11(18-15-8)9-10(13)17-19-16-9/h1-4H,5H2,(H2,13,17)
InChIKeyPNHKQNBMYQXKNI-UHFFFAOYSA-N
XLogP1.43
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 55115137) is 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is PNHKQNBMYQXKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O2/c12-7-3-1-2-6(4-7)5-8-14-11(18-15-8)9-10(13)17-19-16-9/h1-4H,5H2,(H2,13,17).
What are the key properties of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 261.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 55115137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).