1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine

C10H11FN2O2 — CID 84677497

IUPAC1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine
SMILESCC(N)COc1noc2cc(F)ccc12
InChIInChI=1S/C10H11FN2O2/c1-6(12)5-14-10-8-3-2-7(11)4-9(8)15-13-10/h2-4,6H,5,12H2,1H3
InChIKeyVARWMAPUUXNMLZ-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.69
Rot. Bonds3

About 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine

1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine (PubChem CID 84677497) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine
PubChem CID84677497
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine
SMILESCC(N)COc1noc2cc(F)ccc12
InChIInChI=1S/C10H11FN2O2/c1-6(12)5-14-10-8-3-2-7(11)4-9(8)15-13-10/h2-4,6H,5,12H2,1H3
InChIKeyVARWMAPUUXNMLZ-UHFFFAOYSA-N
XLogP1.69
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine?
The IUPAC name of 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine (CID 84677497) is 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine?
The canonical SMILES for 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine is CC(N)COc1noc2cc(F)ccc12.
What is the InChIKey of 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine?
The InChIKey is VARWMAPUUXNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6(12)5-14-10-8-3-2-7(11)4-9(8)15-13-10/h2-4,6H,5,12H2,1H3.
What are the key properties of 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine?
1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine has a molecular weight of 210.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1,2-benzoxazol-3-yl)oxy]propan-2-amine is sourced from PubChem (CID 84677497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).