N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C17H16N2O3 — CID 110774016

IUPACN-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H16N2O3/c1-10-3-5-13(11(2)7-10)18-16(20)9-12-4-6-15-14(8-12)19-17(21)22-15/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXEJUGUIUTJQCEU-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.92
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110774016) 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-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID110774016
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H16N2O3/c1-10-3-5-13(11(2)7-10)18-16(20)9-12-4-6-15-14(8-12)19-17(21)22-15/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXEJUGUIUTJQCEU-UHFFFAOYSA-N
XLogP2.92
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774069
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
CID 63590839
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
methyl 2,2-dimethyl-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoate
CID 116927593
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)acetamide
CID 110680104
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784
N-(2,4-dimethylphenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768321
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773997

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110774016) is N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is Cc1ccc(NC(=O)Cc2ccc3oc(=O)[nH]c3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is XEJUGUIUTJQCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-3-5-13(11(2)7-10)18-16(20)9-12-4-6-15-14(8-12)19-17(21)22-15/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110774016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).