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

C11H11ClN2O3 — CID 20949278

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C11H11ClN2O3/c1-2-13-10(15)6-14-8-4-3-7(12)5-9(8)17-11(14)16/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyAHYYXXDEMARCRG-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.38
Rot. Bonds3

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

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide (PubChem CID 20949278) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
PubChem CID20949278
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C11H11ClN2O3/c1-2-13-10(15)6-14-8-4-3-7(12)5-9(8)17-11(14)16/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyAHYYXXDEMARCRG-UHFFFAOYSA-N
XLogP1.38
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
CID 8986813
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
N-[(3-aminophenyl)methyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 86581111
methyl (2R,3S)-2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-3-methylpentanoate
CID 8986799
benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium
CID 5092486
(2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-N-ethylpropanamide
CID 9470712

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide (CID 20949278) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide is CCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
The InChIKey is AHYYXXDEMARCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-2-13-10(15)6-14-8-4-3-7(12)5-9(8)17-11(14)16/h3-5H,2,6H2,1H3,(H,13,15).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide has a molecular weight of 254.67 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 20949278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).