1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine

C11H13FN2O — CID 64792869

IUPAC1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c1-11(2,13)6-10-14-8-5-7(12)3-4-9(8)15-10/h3-5H,6,13H2,1-2H3
InChIKeyPQHVFAZIBWULBE-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.25
Rot. Bonds2

About 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine

1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine (PubChem CID 64792869) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine
PubChem CID64792869
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c1-11(2,13)6-10-14-8-5-7(12)3-4-9(8)15-10/h3-5H,6,13H2,1-2H3
InChIKeyPQHVFAZIBWULBE-UHFFFAOYSA-N
XLogP2.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine (CID 64792869) is 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1nc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine?
The InChIKey is PQHVFAZIBWULBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-11(2,13)6-10-14-8-5-7(12)3-4-9(8)15-10/h3-5H,6,13H2,1-2H3.
What are the key properties of 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine?
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine has a molecular weight of 208.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 64792869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).