5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one

C15H17FN2O3 — CID 15675981

IUPAC5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(NCC34CCCC(C3)OC4)cc2o1
InChIInChI=1S/C15H17FN2O3/c16-10-4-12-13(21-14(19)18-12)5-11(10)17-7-15-3-1-2-9(6-15)20-8-15/h4-5,9,17H,1-3,6-8H2,(H,18,19)
InChIKeyAERFLKUWAXCKGL-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.63
Rot. Bonds3

About 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one

5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 15675981) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one
PubChem CID15675981
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(F)c(NCC34CCCC(C3)OC4)cc2o1
InChIInChI=1S/C15H17FN2O3/c16-10-4-12-13(21-14(19)18-12)5-11(10)17-7-15-3-1-2-9(6-15)20-8-15/h4-5,9,17H,1-3,6-8H2,(H,18,19)
InChIKeyAERFLKUWAXCKGL-UHFFFAOYSA-N
XLogP2.63
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one (CID 15675981) is 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(F)c(NCC34CCCC(C3)OC4)cc2o1.
What is the InChIKey of 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is AERFLKUWAXCKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-10-4-12-13(21-14(19)18-12)5-11(10)17-7-15-3-1-2-9(6-15)20-8-15/h4-5,9,17H,1-3,6-8H2,(H,18,19).
What are the key properties of 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one?
5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 292.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(6-oxabicyclo[3.2.1]octan-1-ylmethylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15675981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).