N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide

C23H18N2O2 — CID 8860520

IUPACN-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C23H18N2O2/c1-16(26)24-20-11-7-17(8-12-20)9-14-23-25-21-15-19(10-13-22(21)27-23)18-5-3-2-4-6-18/h2-15H,1H3,(H,24,26)/b14-9+
InChIKeyOZJSWCKVDCYNKU-NTEUORMPSA-N
MW354.41 g/mol
LogP5.62
Rot. Bonds4

About N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide

N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide (PubChem CID 8860520) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
PubChem CID8860520
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC NameN-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C23H18N2O2/c1-16(26)24-20-11-7-17(8-12-20)9-14-23-25-21-15-19(10-13-22(21)27-23)18-5-3-2-4-6-18/h2-15H,1H3,(H,24,26)/b14-9+
InChIKeyOZJSWCKVDCYNKU-NTEUORMPSA-N
XLogP5.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
N-methyl-2-nitro-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 22829716
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
CID 23025902
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
N-(4-phenylphenyl)acetamide
CID 19998
2-[(E)-2-(2-nitrophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 16554443

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide (CID 8860520) is N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1.
What is the InChIKey of N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide?
The InChIKey is OZJSWCKVDCYNKU-NTEUORMPSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16(26)24-20-11-7-17(8-12-20)9-14-23-25-21-15-19(10-13-22(21)27-23)18-5-3-2-4-6-18/h2-15H,1H3,(H,24,26)/b14-9+.
What are the key properties of N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide?
N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 8860520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).