2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C13H16N2O3 — CID 69490166

IUPAC2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCC(CC)(C(N)=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-13(4-2,11(14)16)15-9-7-5-6-8-10(9)18-12(15)17/h5-8H,3-4H2,1-2H3,(H2,14,16)
InChIKeyGTKDMLUPAFPFIG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.60
Rot. Bonds4

About 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide

2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 69490166) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID69490166
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCC(CC)(C(N)=O)n1c(=O)oc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-13(4-2,11(14)16)15-9-7-5-6-8-10(9)18-12(15)17/h5-8H,3-4H2,1-2H3,(H2,14,16)
InChIKeyGTKDMLUPAFPFIG-UHFFFAOYSA-N
XLogP1.60
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
3-amino-1,3-benzoxazol-2-one
CID 11412466
2,2-dimethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanethioamide
CID 65248701
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
CID 142790595
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965388
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
CID 44721311
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
3-[(2S)-2-methylpent-4-enoyl]-1,3-benzoxazol-2-one
CID 134945542
3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
CID 149456763
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 69490166) is 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCC(CC)(C(N)=O)n1c(=O)oc2ccccc21.
What is the InChIKey of 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is GTKDMLUPAFPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-13(4-2,11(14)16)15-9-7-5-6-8-10(9)18-12(15)17/h5-8H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 248.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 69490166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).