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

C17H16N2O2 — CID 1235351

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2noc3ccccc23)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-11-7-8-14(12(2)9-11)18-17(20)10-15-13-5-3-4-6-16(13)21-19-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyADUIKKTYUBSKJM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.63
Rot. Bonds3

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

2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 1235351) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID1235351
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2noc3ccccc23)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-11-7-8-14(12(2)9-11)18-17(20)10-15-13-5-3-4-6-16(13)21-19-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyADUIKKTYUBSKJM-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide (CID 1235351) is 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2noc3ccccc23)c(C)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is ADUIKKTYUBSKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-7-8-14(12(2)9-11)18-17(20)10-15-13-5-3-4-6-16(13)21-19-15/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 1235351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).