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

C11H11ClN2O3 — CID 3159246

IUPAC2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
SMILESCCn1c(=O)oc2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C11H11ClN2O3/c1-2-14-8-4-3-7(13-10(15)6-12)5-9(8)17-11(14)16/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyMOXIZUOIEDHYCB-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.79
Rot. Bonds3

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

2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide (PubChem CID 3159246) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
PubChem CID3159246
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
SMILESCCn1c(=O)oc2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C11H11ClN2O3/c1-2-14-8-4-3-7(13-10(15)6-12)5-9(8)17-11(14)16/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyMOXIZUOIEDHYCB-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide (CID 3159246) is 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide is CCn1c(=O)oc2cc(NC(=O)CCl)ccc21.
What is the InChIKey of 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is MOXIZUOIEDHYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-2-14-8-4-3-7(13-10(15)6-12)5-9(8)17-11(14)16/h3-5H,2,6H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 254.67 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 3159246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).