3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol

C10H6FN5O2 — CID 137015366

IUPAC3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ncn[nH]3)no2)c(F)c1
InChIInChI=1S/C10H6FN5O2/c11-7-3-5(17)1-2-6(7)10-14-9(16-18-10)8-12-4-13-15-8/h1-4,17H,(H,12,13,15)
InChIKeyUFDRTZQHZCSEPP-UHFFFAOYSA-N
MW247.19 g/mol
LogP1.37
Rot. Bonds2

About 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol

3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137015366) has the molecular formula C10H6FN5O2 and a molecular weight of 247.19 g/mol. Its IUPAC name is 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137015366
Molecular FormulaC10H6FN5O2
Molecular Weight247.19 g/mol
Exact Mass247.05
IUPAC Name3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ncn[nH]3)no2)c(F)c1
InChIInChI=1S/C10H6FN5O2/c11-7-3-5(17)1-2-6(7)10-14-9(16-18-10)8-12-4-13-15-8/h1-4,17H,(H,12,13,15)
InChIKeyUFDRTZQHZCSEPP-UHFFFAOYSA-N
XLogP1.37
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136827586
5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 63049328
5-(2-bromo-5-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946120
5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 113245529
3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 61399080
5-(3-chloro-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 81422502
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945471
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827573
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136827589
5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945467

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137015366) is 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ncn[nH]3)no2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is UFDRTZQHZCSEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O2/c11-7-3-5(17)1-2-6(7)10-14-9(16-18-10)8-12-4-13-15-8/h1-4,17H,(H,12,13,15).
What are the key properties of 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 247.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137015366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).