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

C15H11FN2O2 — CID 729586

IUPAC2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C15H11FN2O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyNDBXUKAJMXTNKU-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.55
Rot. Bonds3

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

2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 729586) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID729586
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C15H11FN2O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,1H3
InChIKeyNDBXUKAJMXTNKU-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 729586) is 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is NDBXUKAJMXTNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-19-13-8-4-11(5-9-13)15-18-17-14(20-15)10-2-6-12(16)7-3-10/h2-9H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-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 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 729586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).