4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide

C10H13N3O2 — CID 91392956

IUPAC4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide
SMILESCN(C)c1cccc2c1CN(C(N)=O)O2
InChIInChI=1S/C10H13N3O2/c1-12(2)8-4-3-5-9-7(8)6-13(15-9)10(11)14/h3-5H,6H2,1-2H3,(H2,11,14)
InChIKeyXETLRBFYNVGVLP-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.94
Rot. Bonds1

About 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide

4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide (PubChem CID 91392956) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide
PubChem CID91392956
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide
SMILESCN(C)c1cccc2c1CN(C(N)=O)O2
InChIInChI=1S/C10H13N3O2/c1-12(2)8-4-3-5-9-7(8)6-13(15-9)10(11)14/h3-5H,6H2,1-2H3,(H2,11,14)
InChIKeyXETLRBFYNVGVLP-UHFFFAOYSA-N
XLogP0.94
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide (CID 91392956) is 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide is CN(C)c1cccc2c1CN(C(N)=O)O2.
What is the InChIKey of 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide?
The InChIKey is XETLRBFYNVGVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12(2)8-4-3-5-9-7(8)6-13(15-9)10(11)14/h3-5H,6H2,1-2H3,(H2,11,14).
What are the key properties of 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide?
4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3H-1,2-benzoxazole-2-carboxamide is sourced from PubChem (CID 91392956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).