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

C11H13FN2O — CID 64793422

IUPAC1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c1-6(2)10(13)11-14-8-5-7(12)3-4-9(8)15-11/h3-6,10H,13H2,1-2H3
InChIKeyCZJJNNOSUYOKIJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.62
Rot. Bonds2

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

1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (PubChem CID 64793422) 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-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
PubChem CID64793422
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c1-6(2)10(13)11-14-8-5-7(12)3-4-9(8)15-11/h3-6,10H,13H2,1-2H3
InChIKeyCZJJNNOSUYOKIJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-1-amine?
The IUPAC name of 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (CID 64793422) is 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1nc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is CZJJNNOSUYOKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-6(2)10(13)11-14-8-5-7(12)3-4-9(8)15-11/h3-6,10H,13H2,1-2H3.
What are the key properties of 1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 208.24 g/mol, XLogP of 2.62, 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-1-amine is sourced from PubChem (CID 64793422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).