4-fluoro-1,2-benzoxazol-5-amine

C7H5FN2O — CID 84649584

IUPAC4-fluoro-1,2-benzoxazol-5-amine
SMILESNc1ccc2oncc2c1F
InChIInChI=1S/C7H5FN2O/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,9H2
InChIKeyZPSYKCPPTDIHKO-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.55
Rot. Bonds

About 4-fluoro-1,2-benzoxazol-5-amine

4-fluoro-1,2-benzoxazol-5-amine (PubChem CID 84649584) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 4-fluoro-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name4-fluoro-1,2-benzoxazol-5-amine
PubChem CID84649584
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name4-fluoro-1,2-benzoxazol-5-amine
SMILESNc1ccc2oncc2c1F
InChIInChI=1S/C7H5FN2O/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,9H2
InChIKeyZPSYKCPPTDIHKO-UHFFFAOYSA-N
XLogP1.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-benzoxazol-5-amine?
The IUPAC name of 4-fluoro-1,2-benzoxazol-5-amine (CID 84649584) is 4-fluoro-1,2-benzoxazol-5-amine.
What is the SMILES notation for 4-fluoro-1,2-benzoxazol-5-amine?
The canonical SMILES for 4-fluoro-1,2-benzoxazol-5-amine is Nc1ccc2oncc2c1F.
What is the InChIKey of 4-fluoro-1,2-benzoxazol-5-amine?
The InChIKey is ZPSYKCPPTDIHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,9H2.
What are the key properties of 4-fluoro-1,2-benzoxazol-5-amine?
4-fluoro-1,2-benzoxazol-5-amine has a molecular weight of 152.13 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-benzoxazol-5-amine is sourced from PubChem (CID 84649584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).