trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol

C11H11FN2O2 — CID 126790788

IUPACtrans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Nc1nc2c(F)cccc2o1
InChIInChI=1S/C11H11FN2O2/c12-6-2-1-3-9-10(6)14-11(16-9)13-7-4-5-8(7)15/h1-3,7-8,15H,4-5H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyFAUZDJFJIVZJKK-HTQZYQBOSA-N
MW222.22 g/mol
LogP1.90
Rot. Bonds2

About trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol

trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol (PubChem CID 126790788) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
PubChem CID126790788
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nametrans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1Nc1nc2c(F)cccc2o1
InChIInChI=1S/C11H11FN2O2/c12-6-2-1-3-9-10(6)14-11(16-9)13-7-4-5-8(7)15/h1-3,7-8,15H,4-5H2,(H,13,14)/t7-,8-/m1/s1
InChIKeyFAUZDJFJIVZJKK-HTQZYQBOSA-N
XLogP1.90
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol (CID 126790788) is trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol is O[C@@H]1CC[C@H]1Nc1nc2c(F)cccc2o1.
What is the InChIKey of trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
The InChIKey is FAUZDJFJIVZJKK-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-6-2-1-3-9-10(6)14-11(16-9)13-7-4-5-8(7)15/h1-3,7-8,15H,4-5H2,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol has a molecular weight of 222.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 126790788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).