N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H16N2O3 — CID 969749

IUPACN-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1C
InChIInChI=1S/C17H16N2O3/c1-11-7-8-13(9-12(11)2)18-16(20)10-19-14-5-3-4-6-15(14)22-17(19)21/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyZKHUMVLKVAVPTB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.85
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 969749) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID969749
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1C
InChIInChI=1S/C17H16N2O3/c1-11-7-8-13(9-12(11)2)18-16(20)10-19-14-5-3-4-6-15(14)22-17(19)21/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyZKHUMVLKVAVPTB-UHFFFAOYSA-N
XLogP2.85
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 969749) is N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is ZKHUMVLKVAVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-7-8-13(9-12(11)2)18-16(20)10-19-14-5-3-4-6-15(14)22-17(19)21/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 969749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).