N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide

C11H11N3O3 — CID 952763

IUPACN-(2-acetamido-1,3-benzoxazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(C)=O)oc2c1
InChIInChI=1S/C11H11N3O3/c1-6(15)12-8-3-4-9-10(5-8)17-11(14-9)13-7(2)16/h3-5H,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyPKMRDLLRHQLJKO-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.74
Rot. Bonds2

About N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide

N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide (PubChem CID 952763) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzoxazol-6-yl)acetamide
PubChem CID952763
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-(2-acetamido-1,3-benzoxazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(C)=O)oc2c1
InChIInChI=1S/C11H11N3O3/c1-6(15)12-8-3-4-9-10(5-8)17-11(14-9)13-7(2)16/h3-5H,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyPKMRDLLRHQLJKO-UHFFFAOYSA-N
XLogP1.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(methylamino)-1,3-benzoxazol-2-yl]acetamide
CID 143984517
N-(6-acetamido-1,3-benzoxazol-2-yl)thiophene-2-carboxamide
CID 953622
N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,5-dimethoxybenzamide
CID 3897977
N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide
CID 40603845
N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-2-chlorobenzamide
CID 3904553
N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 3983187
N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40607430
N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 39380610
N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3-bromo-4-methoxybenzamide
CID 3581247
N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide
CID 3942706
N-[(6-acetamido-1,3-benzoxazol-2-yl)carbamothioyl]-3,5-dichloro-2-methoxybenzamide
CID 4022295
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide (CID 952763) is N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide is CC(=O)Nc1ccc2nc(NC(C)=O)oc2c1.
What is the InChIKey of N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is PKMRDLLRHQLJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6(15)12-8-3-4-9-10(5-8)17-11(14-9)13-7(2)16/h3-5H,1-2H3,(H,12,15)(H,13,14,16).
What are the key properties of N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide?
N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 233.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 952763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).