4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C11H8FN5O2 — CID 62806269

IUPAC4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(-c2noc(-c3nonc3N)n2)cc1F
InChIInChI=1S/C11H8FN5O2/c1-5-2-3-6(4-7(5)12)10-14-11(18-17-10)8-9(13)16-19-15-8/h2-4H,1H3,(H2,13,16)
InChIKeyJTZFQOPPDKGXGW-UHFFFAOYSA-N
MW261.22 g/mol
LogP1.82
Rot. Bonds2

About 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 62806269) has the molecular formula C11H8FN5O2 and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID62806269
Molecular FormulaC11H8FN5O2
Molecular Weight261.22 g/mol
Exact Mass261.07
IUPAC Name4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(-c2noc(-c3nonc3N)n2)cc1F
InChIInChI=1S/C11H8FN5O2/c1-5-2-3-6(4-7(5)12)10-14-11(18-17-10)8-9(13)16-19-15-8/h2-4H,1H3,(H2,13,16)
InChIKeyJTZFQOPPDKGXGW-UHFFFAOYSA-N
XLogP1.82
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 62806269) is 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Cc1ccc(-c2noc(-c3nonc3N)n2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is JTZFQOPPDKGXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O2/c1-5-2-3-6(4-7(5)12)10-14-11(18-17-10)8-9(13)16-19-15-8/h2-4H,1H3,(H2,13,16).
What are the key properties of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 261.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62806269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).