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

C15H11FN2O2 — CID 6459125

IUPAC3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C15H11FN2O2/c1-19-13-4-2-3-11(9-13)15-17-14(18-20-15)10-5-7-12(16)8-6-10/h2-9H,1H3
InChIKeyTTZAOEYOAZBAED-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.55
Rot. Bonds3

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

3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 6459125) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID6459125
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C15H11FN2O2/c1-19-13-4-2-3-11(9-13)15-17-14(18-20-15)10-5-7-12(16)8-6-10/h2-9H,1H3
InChIKeyTTZAOEYOAZBAED-UHFFFAOYSA-N
XLogP3.55
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 154844159
3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963028
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53035987

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 6459125) is 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is TTZAOEYOAZBAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-19-13-4-2-3-11(9-13)15-17-14(18-20-15)10-5-7-12(16)8-6-10/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 270.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 6459125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).