6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine

C9H11N3O — CID 83382911

IUPAC6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine
SMILESCN(C)c1ccc2nc(N)oc2c1
InChIInChI=1S/C9H11N3O/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11)
InChIKeyGCMBIRMXMCZAML-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.48
Rot. Bonds1

About 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine

6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine (PubChem CID 83382911) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine
PubChem CID83382911
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine
SMILESCN(C)c1ccc2nc(N)oc2c1
InChIInChI=1S/C9H11N3O/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11)
InChIKeyGCMBIRMXMCZAML-UHFFFAOYSA-N
XLogP1.48
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine (CID 83382911) is 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine is CN(C)c1ccc2nc(N)oc2c1.
What is the InChIKey of 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine?
The InChIKey is GCMBIRMXMCZAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine?
6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine has a molecular weight of 177.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-1,3-benzoxazole-2,6-diamine is sourced from PubChem (CID 83382911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).