5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C11H8FN5O — CID 63049328

IUPAC5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ccc(F)cc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C11H8FN5O/c1-6-2-3-7(12)4-8(6)11-15-10(17-18-11)9-13-5-14-16-9/h2-5H,1H3,(H,13,14,16)
InChIKeyGIMHWPVQQWRYIE-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.97
Rot. Bonds2

About 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 63049328) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID63049328
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ccc(F)cc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C11H8FN5O/c1-6-2-3-7(12)4-8(6)11-15-10(17-18-11)9-13-5-14-16-9/h2-5H,1H3,(H,13,14,16)
InChIKeyGIMHWPVQQWRYIE-UHFFFAOYSA-N
XLogP1.97
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-bromo-5-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946120
3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137015366
5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945467
5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945471
5-(3-bromo-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 113245529
5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944463
5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259901
5-(3-chloro-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 81422502
3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 61399080
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 81261221
5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 55153729
1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63049853

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 63049328) is 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Cc1ccc(F)cc1-c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is GIMHWPVQQWRYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c1-6-2-3-7(12)4-8(6)11-15-10(17-18-11)9-13-5-14-16-9/h2-5H,1H3,(H,13,14,16).
What are the key properties of 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 245.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63049328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).