2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide

C17H15ClN2O5 — CID 4244215

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C17H15ClN2O5/c1-23-11-4-5-12(14(8-11)24-2)19-16(21)9-20-13-6-3-10(18)7-15(13)25-17(20)22/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyFMZHYAIYQUAFMQ-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.90
Rot. Bonds5

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 4244215) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID4244215
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C17H15ClN2O5/c1-23-11-4-5-12(14(8-11)24-2)19-16(21)9-20-13-6-3-10(18)7-15(13)25-17(20)22/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyFMZHYAIYQUAFMQ-UHFFFAOYSA-N
XLogP2.90
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide (CID 4244215) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is FMZHYAIYQUAFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-23-11-4-5-12(14(8-11)24-2)19-16(21)9-20-13-6-3-10(18)7-15(13)25-17(20)22/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 362.77 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 4244215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).