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

C26H18N6O3 — CID 14971825

IUPAC4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ncoc3-c3cccc(OCc4nn[nH]n4)c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C26H18N6O3/c1-3-8-17(9-4-1)22-25(18-10-5-2-6-11-18)35-26(28-22)23-24(34-16-27-23)19-12-7-13-20(14-19)33-15-21-29-31-32-30-21/h1-14,16H,15H2,(H,29,30,31,32)
InChIKeyGKFVMIJTBWZDAE-UHFFFAOYSA-N
MW462.47 g/mol
LogP5.42
Rot. Bonds7

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

4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole (PubChem CID 14971825) has the molecular formula C26H18N6O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole
PubChem CID14971825
Molecular FormulaC26H18N6O3
Molecular Weight462.47 g/mol
Exact Mass462.14
IUPAC Name4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ncoc3-c3cccc(OCc4nn[nH]n4)c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C26H18N6O3/c1-3-8-17(9-4-1)22-25(18-10-5-2-6-11-18)35-26(28-22)23-24(34-16-27-23)19-12-7-13-20(14-19)33-15-21-29-31-32-30-21/h1-14,16H,15H2,(H,29,30,31,32)
InChIKeyGKFVMIJTBWZDAE-UHFFFAOYSA-N
XLogP5.42
TPSA115.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole?
The IUPAC name of 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole (CID 14971825) is 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole?
The canonical SMILES for 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole is c1ccc(-c2nc(-c3ncoc3-c3cccc(OCc4nn[nH]n4)c3)oc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole?
The InChIKey is GKFVMIJTBWZDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O3/c1-3-8-17(9-4-1)22-25(18-10-5-2-6-11-18)35-26(28-22)23-24(34-16-27-23)19-12-7-13-20(14-19)33-15-21-29-31-32-30-21/h1-14,16H,15H2,(H,29,30,31,32).
What are the key properties of 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole?
4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole has a molecular weight of 462.47 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[5-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-oxazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 14971825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).