N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H16N2O5 — CID 1096303

IUPACN-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C17H16N2O5/c1-22-11-7-8-14(23-2)12(9-11)18-16(20)10-19-13-5-3-4-6-15(13)24-17(19)21/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyWEWMQMBJQXBNEC-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.25
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 1096303) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID1096303
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C17H16N2O5/c1-22-11-7-8-14(23-2)12(9-11)18-16(20)10-19-13-5-3-4-6-15(13)24-17(19)21/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyWEWMQMBJQXBNEC-UHFFFAOYSA-N
XLogP2.25
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 1096303) is N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is WEWMQMBJQXBNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-22-11-7-8-14(23-2)12(9-11)18-16(20)10-19-13-5-3-4-6-15(13)24-17(19)21/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 328.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 1096303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).