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

C16H13FN2O2 — CID 866003

IUPAC2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C16H13FN2O2/c1-2-20-12-9-7-11(8-10-12)15-18-19-16(21-15)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3
InChIKeyPTXQSFWDRCFDAW-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.94
Rot. Bonds4

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

2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 866003) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID866003
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C16H13FN2O2/c1-2-20-12-9-7-11(8-10-12)15-18-19-16(21-15)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3
InChIKeyPTXQSFWDRCFDAW-UHFFFAOYSA-N
XLogP3.94
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 866003) is 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is PTXQSFWDRCFDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-20-12-9-7-11(8-10-12)15-18-19-16(21-15)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 284.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 866003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).