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

C17H16N2O3 — CID 1081528

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

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

N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 1081528) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID1081528
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)c(C)c1
InChIInChI=1S/C17H16N2O3/c1-11-7-8-13(12(2)9-11)18-16(20)10-19-14-5-3-4-6-15(14)22-17(19)21/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyIEUVLVAVBFOSNU-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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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580501
N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 134019204
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55870259
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400342
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383528
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 4055331
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764036
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 71939920
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(2-chloro-4-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886699
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 1081528) is N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is IEUVLVAVBFOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-7-8-13(12(2)9-11)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-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2,4-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-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 1081528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).