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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Related Compounds

N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 165396334
N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 91358406
N-(4-bromo-2-cyclopropylphenyl)acetamide
CID 70079841
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
6-bromo-4-(4-methylphenyl)-4H-1,2-benzoxazin-3-one
CID 175160471
N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 22496619
2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
(2S)-5-bromo-2-methyl-1,3-benzodioxole
CID 67447010
(NE)-N-[1-[(3S)-5-bromo-2,3-dihydro-1-benzofuran-3-yl]ethylidene]hydroxylamine
CID 98288279

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).