N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C11H12N2O3 — CID 672457

IUPACN,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(C)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-12(2)10(14)7-13-8-5-3-4-6-9(8)16-11(13)15/h3-6H,7H2,1-2H3
InChIKeyPJRASBUTVDEKBU-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.68
Rot. Bonds2

About N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 672457) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID672457
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(C)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-12(2)10(14)7-13-8-5-3-4-6-9(8)16-11(13)15/h3-6H,7H2,1-2H3
InChIKeyPJRASBUTVDEKBU-UHFFFAOYSA-N
XLogP0.68
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 157016365
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46576586
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808848
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
CID 87020688
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
CID 87020691
N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
CID 134039189
N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 50966738
2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
CID 19259989
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
N-(2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 111122153

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 672457) is N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CN(C)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is PJRASBUTVDEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-12(2)10(14)7-13-8-5-3-4-6-9(8)16-11(13)15/h3-6H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 220.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 672457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).