5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole

C17H15FN2O2 — CID 46044140

IUPAC5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H15FN2O2/c1-2-11-21-15-9-5-12(6-10-15)16-19-17(22-20-16)13-3-7-14(18)8-4-13/h3-10H,2,11H2,1H3
InChIKeyUNTXUYQFPYZJCJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.33
Rot. Bonds5

About 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole (PubChem CID 46044140) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
PubChem CID46044140
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H15FN2O2/c1-2-11-21-15-9-5-12(6-10-15)16-19-17(22-20-16)13-3-7-14(18)8-4-13/h3-10H,2,11H2,1H3
InChIKeyUNTXUYQFPYZJCJ-UHFFFAOYSA-N
XLogP4.33
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-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-(3,5-difluorophenyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 42851412
5-(2-bromophenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 3935591
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
3-(4-heptoxyphenyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095312
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
[4-[5-[4-(4-nonoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-3-yl]phenyl] 4-nonoxybenzoate
CID 101493245
[4-[5-[4-(4-decoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-3-yl]phenyl] 4-decoxybenzoate
CID 132607487
5-(4-butoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572237
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole (CID 46044140) is 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole is CCCOc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is UNTXUYQFPYZJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-11-21-15-9-5-12(6-10-15)16-19-17(22-20-16)13-3-7-14(18)8-4-13/h3-10H,2,11H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 298.32 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46044140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).