5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole

C26H18N2O2 — CID 140818796

IUPAC5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole
SMILESc1ccc(-c2ccc(-c3cnc(-c4cccc(Oc5ccccn5)c4)o3)cc2)cc1
InChIInChI=1S/C26H18N2O2/c1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25/h1-18H
InChIKeyMCVSBWMBWRITBG-UHFFFAOYSA-N
MW390.44 g/mol
LogP6.86
Rot. Bonds5

About 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole

5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole (PubChem CID 140818796) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole
PubChem CID140818796
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole
SMILESc1ccc(-c2ccc(-c3cnc(-c4cccc(Oc5ccccn5)c4)o3)cc2)cc1
InChIInChI=1S/C26H18N2O2/c1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25/h1-18H
InChIKeyMCVSBWMBWRITBG-UHFFFAOYSA-N
XLogP6.86
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole (CID 140818796) is 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole is c1ccc(-c2ccc(-c3cnc(-c4cccc(Oc5ccccn5)c4)o3)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole?
The InChIKey is MCVSBWMBWRITBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2/c1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25/h1-18H.
What are the key properties of 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole?
5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole has a molecular weight of 390.44 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole is sourced from PubChem (CID 140818796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).