2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole

C10H7FN2O3S — CID 107349744

IUPAC2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole
SMILESO=[N+]([O-])c1cccc(CSc2ncco2)c1F
InChIInChI=1S/C10H7FN2O3S/c11-9-7(2-1-3-8(9)13(14)15)6-17-10-12-4-5-16-10/h1-5H,6H2
InChIKeyIEZOLLVLQSNVBX-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole

2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole (PubChem CID 107349744) has the molecular formula C10H7FN2O3S and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole
PubChem CID107349744
Molecular FormulaC10H7FN2O3S
Molecular Weight254.24 g/mol
Exact Mass254.02
IUPAC Name2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole
SMILESO=[N+]([O-])c1cccc(CSc2ncco2)c1F
InChIInChI=1S/C10H7FN2O3S/c11-9-7(2-1-3-8(9)13(14)15)6-17-10-12-4-5-16-10/h1-5H,6H2
InChIKeyIEZOLLVLQSNVBX-UHFFFAOYSA-N
XLogP3.01
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole (CID 107349744) is 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole is O=[N+]([O-])c1cccc(CSc2ncco2)c1F.
What is the InChIKey of 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole?
The InChIKey is IEZOLLVLQSNVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3S/c11-9-7(2-1-3-8(9)13(14)15)6-17-10-12-4-5-16-10/h1-5H,6H2.
What are the key properties of 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole?
2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole has a molecular weight of 254.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 107349744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).