N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide

C10H9BrN2O2 — CID 71003694

IUPACN-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1nc2ccc(Br)cc2o1
InChIInChI=1S/C10H9BrN2O2/c1-6(14)13(2)10-12-8-4-3-7(11)5-9(8)15-10/h3-5H,1-2H3
InChIKeyZOBWFWVDDWQYEU-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.57
Rot. Bonds1

About N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide

N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide (PubChem CID 71003694) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide
PubChem CID71003694
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC NameN-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1nc2ccc(Br)cc2o1
InChIInChI=1S/C10H9BrN2O2/c1-6(14)13(2)10-12-8-4-3-7(11)5-9(8)15-10/h3-5H,1-2H3
InChIKeyZOBWFWVDDWQYEU-UHFFFAOYSA-N
XLogP2.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide?
The IUPAC name of N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide (CID 71003694) is N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide?
The canonical SMILES for N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide is CC(=O)N(C)c1nc2ccc(Br)cc2o1.
What is the InChIKey of N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide?
The InChIKey is ZOBWFWVDDWQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6(14)13(2)10-12-8-4-3-7(11)5-9(8)15-10/h3-5H,1-2H3.
What are the key properties of N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide?
N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide has a molecular weight of 269.10 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzoxazol-2-yl)-N-methylacetamide is sourced from PubChem (CID 71003694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).