4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine

C11H11FN2O — CID 170768053

IUPAC4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine
SMILESNc1nc2c(C3CCC3)ccc(F)c2o1
InChIInChI=1S/C11H11FN2O/c12-8-5-4-7(6-2-1-3-6)9-10(8)15-11(13)14-9/h4-6H,1-3H2,(H2,13,14)
InChIKeyWPTRBSDXVWSMGU-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.82
Rot. Bonds1

About 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine

4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine (PubChem CID 170768053) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine
PubChem CID170768053
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine
SMILESNc1nc2c(C3CCC3)ccc(F)c2o1
InChIInChI=1S/C11H11FN2O/c12-8-5-4-7(6-2-1-3-6)9-10(8)15-11(13)14-9/h4-6H,1-3H2,(H2,13,14)
InChIKeyWPTRBSDXVWSMGU-UHFFFAOYSA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine (CID 170768053) is 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine is Nc1nc2c(C3CCC3)ccc(F)c2o1.
What is the InChIKey of 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is WPTRBSDXVWSMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-8-5-4-7(6-2-1-3-6)9-10(8)15-11(13)14-9/h4-6H,1-3H2,(H2,13,14).
What are the key properties of 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine?
4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 206.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-7-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 170768053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).