2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine

C8H7FN4O — CID 156898749

IUPAC2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine
SMILESNC(N)=Nc1nc2cccc(F)c2o1
InChIInChI=1S/C8H7FN4O/c9-4-2-1-3-5-6(4)14-8(12-5)13-7(10)11/h1-3H,(H4,10,11,12,13)
InChIKeyCQXMZKWZSJSIJN-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.87
Rot. Bonds1

About 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine

2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine (PubChem CID 156898749) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine
PubChem CID156898749
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine
SMILESNC(N)=Nc1nc2cccc(F)c2o1
InChIInChI=1S/C8H7FN4O/c9-4-2-1-3-5-6(4)14-8(12-5)13-7(10)11/h1-3H,(H4,10,11,12,13)
InChIKeyCQXMZKWZSJSIJN-UHFFFAOYSA-N
XLogP0.87
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine?
The IUPAC name of 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine (CID 156898749) is 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine.
What is the SMILES notation for 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine?
The canonical SMILES for 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine is NC(N)=Nc1nc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine?
The InChIKey is CQXMZKWZSJSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c9-4-2-1-3-5-6(4)14-8(12-5)13-7(10)11/h1-3H,(H4,10,11,12,13).
What are the key properties of 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine?
2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine has a molecular weight of 194.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1,3-benzoxazol-2-yl)guanidine is sourced from PubChem (CID 156898749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).