1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine

C12H14N2O2 — CID 102696482

IUPAC1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
SMILESCOc1ccc2nc(C3(N)CCC3)oc2c1
InChIInChI=1S/C12H14N2O2/c1-15-8-3-4-9-10(7-8)16-11(14-9)12(13)5-2-6-12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyZCVXBHZIYDTVRX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.17
Rot. Bonds2

About 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine

1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine (PubChem CID 102696482) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
PubChem CID102696482
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
SMILESCOc1ccc2nc(C3(N)CCC3)oc2c1
InChIInChI=1S/C12H14N2O2/c1-15-8-3-4-9-10(7-8)16-11(14-9)12(13)5-2-6-12/h3-4,7H,2,5-6,13H2,1H3
InChIKeyZCVXBHZIYDTVRX-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine (CID 102696482) is 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine is COc1ccc2nc(C3(N)CCC3)oc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine?
The InChIKey is ZCVXBHZIYDTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-8-3-4-9-10(7-8)16-11(14-9)12(13)5-2-6-12/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine?
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 102696482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).