2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole

C25H23NO — CID 4222558

IUPAC2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
SMILESCC(C)(C)c1ccc(C=Cc2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C25H23NO/c1-25(2,3)21-13-9-18(10-14-21)11-16-24-26-22-17-20(12-15-23(22)27-24)19-7-5-4-6-8-19/h4-17H,1-3H3
InChIKeyHHUVJJGGFMSYSQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.96
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole

2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole (PubChem CID 4222558) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
PubChem CID4222558
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
SMILESCC(C)(C)c1ccc(C=Cc2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C25H23NO/c1-25(2,3)21-13-9-18(10-14-21)11-16-24-26-22-17-20(12-15-23(22)27-24)19-7-5-4-6-8-19/h4-17H,1-3H3
InChIKeyHHUVJJGGFMSYSQ-UHFFFAOYSA-N
XLogP6.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
CID 8860520
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
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
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
N-methyl-2-nitro-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 22829716
2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole
CID 157060082
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
2-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 6437308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole (CID 4222558) is 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole is CC(C)(C)c1ccc(C=Cc2nc3cc(-c4ccccc4)ccc3o2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The InChIKey is HHUVJJGGFMSYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-25(2,3)21-13-9-18(10-14-21)11-16-24-26-22-17-20(12-15-23(22)27-24)19-7-5-4-6-8-19/h4-17H,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole has a molecular weight of 353.47 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 4222558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).