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

C14H8FN3O3 — CID 781493

IUPAC2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C14H8FN3O3/c15-12-4-2-1-3-11(12)14-17-16-13(21-14)9-5-7-10(8-6-9)18(19)20/h1-8H
InChIKeyCNOCWFZVKPHLPT-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.45
Rot. Bonds3

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

2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 781493) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
PubChem CID781493
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC Name2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C14H8FN3O3/c15-12-4-2-1-3-11(12)14-17-16-13(21-14)9-5-7-10(8-6-9)18(19)20/h1-8H
InChIKeyCNOCWFZVKPHLPT-UHFFFAOYSA-N
XLogP3.45
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CID 29263901
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-[[5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 37080280
2-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzo[f]chromen-3-one
CID 4036429
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
2-deuteriosulfanyl-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 175716883
2-(4-nitrophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 11264781
2-(4-nitrophenyl)-5-[4-[8-[4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]octoxy]phenyl]-1,3,4-oxadiazole
CID 177495649
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 7417827
2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
CID 863664

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole (CID 781493) is 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is CNOCWFZVKPHLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-12-4-2-1-3-11(12)14-17-16-13(21-14)9-5-7-10(8-6-9)18(19)20/h1-8H.
What are the key properties of 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 285.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 781493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).