2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide

C17H15ClN2O4 — CID 5092472

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O4/c1-2-23-14-6-4-3-5-12(14)19-16(21)10-20-13-8-7-11(18)9-15(13)24-17(20)22/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyCGQQUAZUALGBAL-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.29
Rot. Bonds5

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 5092472) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID5092472
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClN2O4/c1-2-23-14-6-4-3-5-12(14)19-16(21)10-20-13-8-7-11(18)9-15(13)24-17(20)22/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyCGQQUAZUALGBAL-UHFFFAOYSA-N
XLogP3.29
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide (CID 5092472) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is CGQQUAZUALGBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-2-23-14-6-4-3-5-12(14)19-16(21)10-20-13-8-7-11(18)9-15(13)24-17(20)22/h3-9H,2,10H2,1H3,(H,19,21).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 5092472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).