6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol

C11H12N2O2 — CID 84777802

IUPAC6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2ccc(C3(N)CC3)c(O)c2o1
InChIInChI=1S/C11H12N2O2/c1-6-13-8-3-2-7(11(12)4-5-11)9(14)10(8)15-6/h2-3,14H,4-5,12H2,1H3
InChIKeyGUJGQBSTJZIYLF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.79
Rot. Bonds1

About 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol

6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol (PubChem CID 84777802) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol
PubChem CID84777802
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2ccc(C3(N)CC3)c(O)c2o1
InChIInChI=1S/C11H12N2O2/c1-6-13-8-3-2-7(11(12)4-5-11)9(14)10(8)15-6/h2-3,14H,4-5,12H2,1H3
InChIKeyGUJGQBSTJZIYLF-UHFFFAOYSA-N
XLogP1.79
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol?
The IUPAC name of 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol (CID 84777802) is 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol.
What is the SMILES notation for 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol?
The canonical SMILES for 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol is Cc1nc2ccc(C3(N)CC3)c(O)c2o1.
What is the InChIKey of 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol?
The InChIKey is GUJGQBSTJZIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-13-8-3-2-7(11(12)4-5-11)9(14)10(8)15-6/h2-3,14H,4-5,12H2,1H3.
What are the key properties of 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol?
6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol has a molecular weight of 204.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-2-methyl-1,3-benzoxazol-7-ol is sourced from PubChem (CID 84777802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).