5-fluoro-1,2-benzoxazol-6-amine

C7H5FN2O — CID 117110014

IUPAC5-fluoro-1,2-benzoxazol-6-amine
SMILESNc1cc2oncc2cc1F
InChIInChI=1S/C7H5FN2O/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,9H2
InChIKeySMRLWEHWXFMUDC-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.55
Rot. Bonds

About 5-fluoro-1,2-benzoxazol-6-amine

5-fluoro-1,2-benzoxazol-6-amine (PubChem CID 117110014) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-fluoro-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name5-fluoro-1,2-benzoxazol-6-amine
PubChem CID117110014
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name5-fluoro-1,2-benzoxazol-6-amine
SMILESNc1cc2oncc2cc1F
InChIInChI=1S/C7H5FN2O/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,9H2
InChIKeySMRLWEHWXFMUDC-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 5-fluoro-1,2-benzoxazol-6-amine?
The IUPAC name of 5-fluoro-1,2-benzoxazol-6-amine (CID 117110014) is 5-fluoro-1,2-benzoxazol-6-amine.
What is the SMILES notation for 5-fluoro-1,2-benzoxazol-6-amine?
The canonical SMILES for 5-fluoro-1,2-benzoxazol-6-amine is Nc1cc2oncc2cc1F.
What is the InChIKey of 5-fluoro-1,2-benzoxazol-6-amine?
The InChIKey is SMRLWEHWXFMUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,9H2.
What are the key properties of 5-fluoro-1,2-benzoxazol-6-amine?
5-fluoro-1,2-benzoxazol-6-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 5-fluoro-1,2-benzoxazol-6-amine is sourced from PubChem (CID 117110014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).