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

C18H18N2O2 — CID 52572922

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2noc3ccccc23)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-12-7-8-14(13(2)9-12)11-19-18(21)10-16-15-5-3-4-6-17(15)22-20-16/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyLHCHLZIZXJWMAV-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.30
Rot. Bonds4

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

2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide (PubChem CID 52572922) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
PubChem CID52572922
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2noc3ccccc23)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-12-7-8-14(13(2)9-12)11-19-18(21)10-16-15-5-3-4-6-17(15)22-20-16/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyLHCHLZIZXJWMAV-UHFFFAOYSA-N
XLogP3.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263355
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
N-[(4-chlorophenyl)methyl]-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519867
2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
CID 9183197
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide (CID 52572922) is 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2noc3ccccc23)c(C)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide?
The InChIKey is LHCHLZIZXJWMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-7-8-14(13(2)9-12)11-19-18(21)10-16-15-5-3-4-6-17(15)22-20-16/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.30, 4 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)methyl]acetamide is sourced from PubChem (CID 52572922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).