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

C28H19N5O — CID 12020824

IUPAC4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3-c3nn[nH]n3)oc2-c2ccccc2)cc1
InChIInChI=1S/C28H19N5O/c1-3-11-19(12-4-1)25-26(20-13-5-2-6-14-20)34-28(29-25)24-18-10-8-16-22(24)21-15-7-9-17-23(21)27-30-32-33-31-27/h1-18H,(H,30,31,32,33)
InChIKeyXJEFALNQMAOJGX-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.52
Rot. Bonds5

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

4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole (PubChem CID 12020824) has the molecular formula C28H19N5O and a molecular weight of 441.49 g/mol. Its IUPAC name is 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole
PubChem CID12020824
Molecular FormulaC28H19N5O
Molecular Weight441.49 g/mol
Exact Mass441.16
IUPAC Name4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3-c3nn[nH]n3)oc2-c2ccccc2)cc1
InChIInChI=1S/C28H19N5O/c1-3-11-19(12-4-1)25-26(20-13-5-2-6-14-20)34-28(29-25)24-18-10-8-16-22(24)21-15-7-9-17-23(21)27-30-32-33-31-27/h1-18H,(H,30,31,32,33)
InChIKeyXJEFALNQMAOJGX-UHFFFAOYSA-N
XLogP6.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine
CID 173146131
3-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalen-2-ol
CID 136746121
4,5-diphenyl-2-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]-1,3-oxazole
CID 20821491
(E)-1-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]-N-(methylideneamino)ethanimine;ethane
CID 142019656
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
2-(furan-2-yl)-4,5-diphenyl-1,3-oxazole
CID 71740870
1-[2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]phenyl]propan-2-yl]-2-methylhydrazine;ethane
CID 142019585
2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
CID 126495223
potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
CID 173044434
3-[2-(2H-tetrazol-5-yl)phenyl]-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143720555
4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
CID 18330802
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
CID 172761418

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole (CID 12020824) is 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole is c1ccc(-c2nc(-c3ccccc3-c3ccccc3-c3nn[nH]n3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole?
The InChIKey is XJEFALNQMAOJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O/c1-3-11-19(12-4-1)25-26(20-13-5-2-6-14-20)34-28(29-25)24-18-10-8-16-22(24)21-15-7-9-17-23(21)27-30-32-33-31-27/h1-18H,(H,30,31,32,33).
What are the key properties of 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole?
4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole has a molecular weight of 441.49 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 12020824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).