3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol

C9H8FN3O2 — CID 117298189

IUPAC3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol
SMILESNCc1nc(-c2cc(O)ccc2F)no1
InChIInChI=1S/C9H8FN3O2/c10-7-2-1-5(14)3-6(7)9-12-8(4-11)15-13-9/h1-3,14H,4,11H2
InChIKeyYTJRLIIPMOVFHJ-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.04
Rot. Bonds2

About 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol

3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol (PubChem CID 117298189) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol
PubChem CID117298189
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol
SMILESNCc1nc(-c2cc(O)ccc2F)no1
InChIInChI=1S/C9H8FN3O2/c10-7-2-1-5(14)3-6(7)9-12-8(4-11)15-13-9/h1-3,14H,4,11H2
InChIKeyYTJRLIIPMOVFHJ-UHFFFAOYSA-N
XLogP1.04
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol?
The IUPAC name of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol (CID 117298189) is 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol.
What is the SMILES notation for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol?
The canonical SMILES for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol is NCc1nc(-c2cc(O)ccc2F)no1.
What is the InChIKey of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol?
The InChIKey is YTJRLIIPMOVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-7-2-1-5(14)3-6(7)9-12-8(4-11)15-13-9/h1-3,14H,4,11H2.
What are the key properties of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol?
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol has a molecular weight of 209.18 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluorophenol is sourced from PubChem (CID 117298189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).