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

C17H16N2O4 — CID 893575

IUPACN-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O4/c1-2-22-14-9-5-3-7-12(14)18-16(20)11-19-13-8-4-6-10-15(13)23-17(19)21/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyUJSHFUKDRCJQII-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.63
Rot. Bonds5

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

N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 893575) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID893575
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H16N2O4/c1-2-22-14-9-5-3-7-12(14)18-16(20)11-19-13-8-4-6-10-15(13)23-17(19)21/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyUJSHFUKDRCJQII-UHFFFAOYSA-N
XLogP2.63
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 890994
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CID 654114
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 893575) is N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCOc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is UJSHFUKDRCJQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-22-14-9-5-3-7-12(14)18-16(20)11-19-13-8-4-6-10-15(13)23-17(19)21/h3-10H,2,11H2,1H3,(H,18,20).
What are the key properties of N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 893575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).