3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol

C23H17NO2 — CID 54488787

IUPAC3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol
SMILESOc1cccc(C=Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C23H17NO2/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-16,25H
InChIKeyXUGVYZUVNVFZPW-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.88
Rot. Bonds4

About 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol

3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol (PubChem CID 54488787) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol
PubChem CID54488787
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol
SMILESOc1cccc(C=Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C23H17NO2/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-16,25H
InChIKeyXUGVYZUVNVFZPW-UHFFFAOYSA-N
XLogP5.88
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
2-[(E)-2-[(1Z)-buta-1,3-dienoxy]ethenyl]-4,5-diphenyl-1,3-oxazole
CID 135258757
4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
CID 126495209
4-[2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]ethenyl]aniline
CID 71335046
2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid
CID 10069380
(E)-3-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 12020827
3-[4-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]propanenitrile
CID 21088684
3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol
CID 12020842
3-[(E)-2-bromoethenyl]phenol
CID 74892827
3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921074
3-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methoxynaphthalen-2-ol
CID 137183963
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
The IUPAC name of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol (CID 54488787) is 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol.
What is the SMILES notation for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
The canonical SMILES for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol is Oc1cccc(C=Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
The InChIKey is XUGVYZUVNVFZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-16,25H.
What are the key properties of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol has a molecular weight of 339.39 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol is sourced from PubChem (CID 54488787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).