4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole

C27H19NO — CID 22377866

IUPAC4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
SMILESC(=C/c1ccccc1-c1nc2c(-c3ccccc3)cccc2o1)\c1ccccc1
InChIInChI=1S/C27H19NO/c1-3-10-20(11-4-1)18-19-22-14-7-8-15-24(22)27-28-26-23(16-9-17-25(26)29-27)21-12-5-2-6-13-21/h1-19H/b19-18+
InChIKeySXEVEDVTGBUNAJ-VHEBQXMUSA-N
MW373.46 g/mol
LogP7.33
Rot. Bonds4

About 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole

4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole (PubChem CID 22377866) has the molecular formula C27H19NO and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
PubChem CID22377866
Molecular FormulaC27H19NO
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
SMILESC(=C/c1ccccc1-c1nc2c(-c3ccccc3)cccc2o1)\c1ccccc1
InChIInChI=1S/C27H19NO/c1-3-10-20(11-4-1)18-19-22-14-7-8-15-24(22)27-28-26-23(16-9-17-25(26)29-27)21-12-5-2-6-13-21/h1-19H/b19-18+
InChIKeySXEVEDVTGBUNAJ-VHEBQXMUSA-N
XLogP7.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole
CID 70587821
2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 66632970
5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 67188632
ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
CID 174914865
4-phenyl-1,3-benzoxazol-2-amine
CID 70467238
2-phenyl-1,3-benzoxazole-4-carbaldehyde
CID 15005905
4-aminobenzoic acid;2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 175306956
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
CID 175190264
4-[2-(2-phenylphenyl)ethenyl]pyridine
CID 141095127
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole (CID 22377866) is 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole is C(=C/c1ccccc1-c1nc2c(-c3ccccc3)cccc2o1)\c1ccccc1.
What is the InChIKey of 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole?
The InChIKey is SXEVEDVTGBUNAJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C27H19NO/c1-3-10-20(11-4-1)18-19-22-14-7-8-15-24(22)27-28-26-23(16-9-17-25(26)29-27)21-12-5-2-6-13-21/h1-19H/b19-18+.
What are the key properties of 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole?
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole has a molecular weight of 373.46 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 22377866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).