5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole

C24H21NO4 — CID 6006710

IUPAC5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-26-21-13-16(14-22(27-2)24(21)28-3)9-12-23-25-19-15-18(10-11-20(19)29-23)17-7-5-4-6-8-17/h4-15H,1-3H3/b12-9+
InChIKeyQIBCWDHJSJBPLC-FMIVXFBMSA-N
MW387.44 g/mol
LogP5.69
Rot. Bonds6

About 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole

5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 6006710) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
PubChem CID6006710
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-26-21-13-16(14-22(27-2)24(21)28-3)9-12-23-25-19-15-18(10-11-20(19)29-23)17-7-5-4-6-8-17/h4-15H,1-3H3/b12-9+
InChIKeyQIBCWDHJSJBPLC-FMIVXFBMSA-N
XLogP5.69
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
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-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-benzoxazole
CID 6183544
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
CID 8860520
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
CID 23025902
2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
CID 91684040
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
3-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethoxyphenoxy]-N,N-dipropylpropan-1-amine
CID 10181641

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole (CID 6006710) is 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole is COc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is QIBCWDHJSJBPLC-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H21NO4/c1-26-21-13-16(14-22(27-2)24(21)28-3)9-12-23-25-19-15-18(10-11-20(19)29-23)17-7-5-4-6-8-17/h4-15H,1-3H3/b12-9+.
What are the key properties of 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole?
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 387.44 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 6006710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).