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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Related Compounds

3-(5-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135522274
5-Amino-2-(6-methylbenzo[d]oxazol-2-yl)phenol
CID 762782
4,6-DI-Tert-butyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-benzoxazol-7-OL
CID 1356382
4,6-Di-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-7-ol
CID 1893503
2-Methoxy-6-({[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)phenol
CID 1040028
Ethyl 6-methyl-8-oxopyrano[3,2-g][1,3]benzoxazole-2-carboxylate
CID 24976691
6-Methyl-2-(4-methylphenyl)pyrano[3,2-g][1,3]benzoxazol-8-one
CID 86174519
6-Methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134911852
2-Benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134911859
Methyl 6-methyl-8-oxopyrano[3,2-g][1,3]benzoxazole-2-carboxylate
CID 134912173
2-Ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912214
2-Acetyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134990003

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).