1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine

C11H13FN2O — CID 63675606

IUPAC1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2ccc(F)cc2o1
InChIInChI=1S/C11H13FN2O/c1-2-3-8(13)11-14-9-5-4-7(12)6-10(9)15-11/h4-6,8H,2-3,13H2,1H3
InChIKeyZJNGMJCPTSKFFS-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.77
Rot. Bonds3

About 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine

1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine (PubChem CID 63675606) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
PubChem CID63675606
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2ccc(F)cc2o1
InChIInChI=1S/C11H13FN2O/c1-2-3-8(13)11-14-9-5-4-7(12)6-10(9)15-11/h4-6,8H,2-3,13H2,1H3
InChIKeyZJNGMJCPTSKFFS-UHFFFAOYSA-N
XLogP2.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine?
The IUPAC name of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine (CID 63675606) is 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine is CCCC(N)c1nc2ccc(F)cc2o1.
What is the InChIKey of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine?
The InChIKey is ZJNGMJCPTSKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-2-3-8(13)11-14-9-5-4-7(12)6-10(9)15-11/h4-6,8H,2-3,13H2,1H3.
What are the key properties of 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine?
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine has a molecular weight of 208.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzoxazol-2-yl)butan-1-amine is sourced from PubChem (CID 63675606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).