4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole

C29H20N4O — CID 20821491

IUPAC4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc(-c4ncn[nH]4)c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C29H20N4O/c1-3-10-20(11-4-1)26-27(21-12-5-2-6-13-21)34-29(32-26)25-17-8-7-16-24(25)22-14-9-15-23(18-22)28-30-19-31-33-28/h1-19H,(H,30,31,33)
InChIKeyVSJAMCZDDFONCP-UHFFFAOYSA-N
MW440.51 g/mol
LogP7.13
Rot. Bonds5

About 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole

4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole (PubChem CID 20821491) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole
PubChem CID20821491
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc(-c4ncn[nH]4)c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C29H20N4O/c1-3-10-20(11-4-1)26-27(21-12-5-2-6-13-21)34-29(32-26)25-17-8-7-16-24(25)22-14-9-15-23(18-22)28-30-19-31-33-28/h1-19H,(H,30,31,33)
InChIKeyVSJAMCZDDFONCP-UHFFFAOYSA-N
XLogP7.13
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-phenylphenyl)-1H-1,2,4-triazole
CID 141114745
(E)-3-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 12020827
1-[2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]propan-2-yl]-2-methylhydrazine;ethane
CID 142019585
3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
CID 136746121
4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole
CID 12020824
(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane
CID 142019656
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
CID 10470825
3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol
CID 12020842
3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
CID 14320030
2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
CID 126495223
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole (CID 20821491) is 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole is c1ccc(-c2nc(-c3ccccc3-c3cccc(-c4ncn[nH]4)c3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole?
The InChIKey is VSJAMCZDDFONCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c1-3-10-20(11-4-1)26-27(21-12-5-2-6-13-21)34-29(32-26)25-17-8-7-16-24(25)22-14-9-15-23(18-22)28-30-19-31-33-28/h1-19H,(H,30,31,33).
What are the key properties of 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole?
4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole has a molecular weight of 440.51 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 20821491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).