5-fluoro-6-nitro-1,3-benzoxazole

C7H3FN2O3 — CID 71755625

IUPAC5-fluoro-6-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1cc2ocnc2cc1F
InChIInChI=1S/C7H3FN2O3/c8-4-1-5-7(13-3-9-5)2-6(4)10(11)12/h1-3H
InChIKeyIMNFCYSLWDDQRS-UHFFFAOYSA-N
MW182.11 g/mol
LogP1.88
Rot. Bonds1

About 5-fluoro-6-nitro-1,3-benzoxazole

5-fluoro-6-nitro-1,3-benzoxazole (PubChem CID 71755625) has the molecular formula C7H3FN2O3 and a molecular weight of 182.11 g/mol. Its IUPAC name is 5-fluoro-6-nitro-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-6-nitro-1,3-benzoxazole
PubChem CID71755625
Molecular FormulaC7H3FN2O3
Molecular Weight182.11 g/mol
Exact Mass182.01
IUPAC Name5-fluoro-6-nitro-1,3-benzoxazole
SMILESO=[N+]([O-])c1cc2ocnc2cc1F
InChIInChI=1S/C7H3FN2O3/c8-4-1-5-7(13-3-9-5)2-6(4)10(11)12/h1-3H
InChIKeyIMNFCYSLWDDQRS-UHFFFAOYSA-N
XLogP1.88
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-fluoro-6-nitro-1,3-benzoxazole?
The IUPAC name of 5-fluoro-6-nitro-1,3-benzoxazole (CID 71755625) is 5-fluoro-6-nitro-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-6-nitro-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-6-nitro-1,3-benzoxazole is O=[N+]([O-])c1cc2ocnc2cc1F.
What is the InChIKey of 5-fluoro-6-nitro-1,3-benzoxazole?
The InChIKey is IMNFCYSLWDDQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN2O3/c8-4-1-5-7(13-3-9-5)2-6(4)10(11)12/h1-3H.
What are the key properties of 5-fluoro-6-nitro-1,3-benzoxazole?
5-fluoro-6-nitro-1,3-benzoxazole has a molecular weight of 182.11 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-nitro-1,3-benzoxazole is sourced from PubChem (CID 71755625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).