N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide

C9H9BrN2O2 — CID 129019154

IUPACN-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide
SMILESCC(=O)NC1NOc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O2/c1-5(13)11-9-7-4-6(10)2-3-8(7)14-12-9/h2-4,9,12H,1H3,(H,11,13)
InChIKeyHHSOEKPLYNFUPQ-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.48
Rot. Bonds1

About N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide

N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide (PubChem CID 129019154) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide
PubChem CID129019154
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC NameN-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide
SMILESCC(=O)NC1NOc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O2/c1-5(13)11-9-7-4-6(10)2-3-8(7)14-12-9/h2-4,9,12H,1H3,(H,11,13)
InChIKeyHHSOEKPLYNFUPQ-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide (CID 129019154) is N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide is CC(=O)NC1NOc2ccc(Br)cc21.
What is the InChIKey of N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is HHSOEKPLYNFUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-5(13)11-9-7-4-6(10)2-3-8(7)14-12-9/h2-4,9,12H,1H3,(H,11,13).
What are the key properties of N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide?
N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 257.09 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,3-dihydro-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 129019154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).