2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile

C10H9N3O — CID 69218842

IUPAC2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile
SMILESCN(C)c1nc2cc(C#N)ccc2o1
InChIInChI=1S/C10H9N3O/c1-13(2)10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,1-2H3
InChIKeyVHWXSIMZUPEVKQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.77
Rot. Bonds1

About 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile

2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile (PubChem CID 69218842) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile
PubChem CID69218842
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile
SMILESCN(C)c1nc2cc(C#N)ccc2o1
InChIInChI=1S/C10H9N3O/c1-13(2)10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,1-2H3
InChIKeyVHWXSIMZUPEVKQ-UHFFFAOYSA-N
XLogP1.77
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile?
The IUPAC name of 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile (CID 69218842) is 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile is CN(C)c1nc2cc(C#N)ccc2o1.
What is the InChIKey of 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile?
The InChIKey is VHWXSIMZUPEVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-13(2)10-12-8-5-7(6-11)3-4-9(8)14-10/h3-5H,1-2H3.
What are the key properties of 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile?
2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,3-benzoxazole-5-carbonitrile is sourced from PubChem (CID 69218842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).