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

C17H16N2O3 — CID 2996296

IUPACN-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-12-7-3-4-8-13(12)18-16(20)11-19-14-9-5-6-10-15(14)22-17(19)21/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyXPSWMZQWJFUDSX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.80
Rot. Bonds4

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

N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 2996296) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID2996296
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-12-7-3-4-8-13(12)18-16(20)11-19-14-9-5-6-10-15(14)22-17(19)21/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyXPSWMZQWJFUDSX-UHFFFAOYSA-N
XLogP2.80
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 2996296) is N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is XPSWMZQWJFUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-12-7-3-4-8-13(12)18-16(20)11-19-14-9-5-6-10-15(14)22-17(19)21/h3-10H,2,11H2,1H3,(H,18,20).
What are the key properties of N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 2996296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).