2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole

C16H10FN3O3S — CID 141479175

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Sc2nnc(/C=C/c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H10FN3O3S/c17-12-4-1-11(2-5-12)3-10-15-18-19-16(23-15)24-14-8-6-13(7-9-14)20(21)22/h1-10H/b10-3+
InChIKeyIVZCNULOALJCOP-XCVCLJGOSA-N
MW343.34 g/mol
LogP4.44
Rot. Bonds5

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole

2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole (PubChem CID 141479175) has the molecular formula C16H10FN3O3S and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole
PubChem CID141479175
Molecular FormulaC16H10FN3O3S
Molecular Weight343.34 g/mol
Exact Mass343.04
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(Sc2nnc(/C=C/c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H10FN3O3S/c17-12-4-1-11(2-5-12)3-10-15-18-19-16(23-15)24-14-8-6-13(7-9-14)20(21)22/h1-10H/b10-3+
InChIKeyIVZCNULOALJCOP-XCVCLJGOSA-N
XLogP4.44
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole (CID 141479175) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(Sc2nnc(/C=C/c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole?
The InChIKey is IVZCNULOALJCOP-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H10FN3O3S/c17-12-4-1-11(2-5-12)3-10-15-18-19-16(23-15)24-14-8-6-13(7-9-14)20(21)22/h1-10H/b10-3+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole?
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole has a molecular weight of 343.34 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141479175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).