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

C23H20N2O2 — CID 7596926

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(C)c1
InChIInChI=1S/C23H20N2O2/c1-15-10-11-17(16(2)12-15)14-22(26)24-19-7-5-6-18(13-19)23-25-20-8-3-4-9-21(20)27-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyOXTFQIUTNUKJOQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.29
Rot. Bonds4

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

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 7596926) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide
PubChem CID7596926
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(C)c1
InChIInChI=1S/C23H20N2O2/c1-15-10-11-17(16(2)12-15)14-22(26)24-19-7-5-6-18(13-19)23-25-20-8-3-4-9-21(20)27-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyOXTFQIUTNUKJOQ-UHFFFAOYSA-N
XLogP5.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 1364193
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
S-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 2-methylbenzenecarbothioate
CID 22300609
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 1068351
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
2-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683656
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 4906817
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide (CID 7596926) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(C)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is OXTFQIUTNUKJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-10-11-17(16(2)12-15)14-22(26)24-19-7-5-6-18(13-19)23-25-20-8-3-4-9-21(20)27-23/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7596926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).