5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one

C13H15FN2O3 — CID 15675986

IUPAC5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(NCC3CCCCO3)cc2o1
InChIInChI=1S/C13H15FN2O3/c14-9-5-11-12(19-13(17)16-11)6-10(9)15-7-8-3-1-2-4-18-8/h5-6,8,15H,1-4,7H2,(H,16,17)
InChIKeyGLTJUOUKZHXMCC-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.24
Rot. Bonds3

About 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one

5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 15675986) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
PubChem CID15675986
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(NCC3CCCCO3)cc2o1
InChIInChI=1S/C13H15FN2O3/c14-9-5-11-12(19-13(17)16-11)6-10(9)15-7-8-3-1-2-4-18-8/h5-6,8,15H,1-4,7H2,(H,16,17)
InChIKeyGLTJUOUKZHXMCC-UHFFFAOYSA-N
XLogP2.24
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one (CID 15675986) is 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(F)c(NCC3CCCCO3)cc2o1.
What is the InChIKey of 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is GLTJUOUKZHXMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-5-11-12(19-13(17)16-11)6-10(9)15-7-8-3-1-2-4-18-8/h5-6,8,15H,1-4,7H2,(H,16,17).
What are the key properties of 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 266.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(oxan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15675986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).