5-fluoro-1,3-benzoxazol-2-amine

C7H5FN2O — CID 15516

IUPAC5-fluoro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(F)ccc2o1
InChIInChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyPFPSBRGOJCFWKD-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.55
Rot. Bonds

About 5-fluoro-1,3-benzoxazol-2-amine

5-fluoro-1,3-benzoxazol-2-amine (PubChem CID 15516) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1,3-benzoxazol-2-amine
PubChem CID15516
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name5-fluoro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(F)ccc2o1
InChIInChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyPFPSBRGOJCFWKD-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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-1,3-benzoxazol-2-amine (CID 15516) is 5-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-1,3-benzoxazol-2-amine is Nc1nc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is PFPSBRGOJCFWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10).
What are the key properties of 5-fluoro-1,3-benzoxazol-2-amine?
5-fluoro-1,3-benzoxazol-2-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-1,3-benzoxazol-2-amine is sourced from PubChem (CID 15516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).