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

C36H24N2O2 — CID 14265980

IUPAC2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C36H24N2O2/c1-5-13-25(14-6-1)31-33(27-17-9-3-10-18-27)39-35(37-31)29-21-23-30(24-22-29)36-38-32(26-15-7-2-8-16-26)34(40-36)28-19-11-4-12-20-28/h1-24H
InChIKeyNYVNQNOCBWUXCT-UHFFFAOYSA-N
MW516.60 g/mol
LogP9.66
Rot. Bonds6

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

2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole (PubChem CID 14265980) has the molecular formula C36H24N2O2 and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole
PubChem CID14265980
Molecular FormulaC36H24N2O2
Molecular Weight516.60 g/mol
Exact Mass516.18
IUPAC Name2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C36H24N2O2/c1-5-13-25(14-6-1)31-33(27-17-9-3-10-18-27)39-35(37-31)29-21-23-30(24-22-29)36-38-32(26-15-7-2-8-16-26)34(40-36)28-19-11-4-12-20-28/h1-24H
InChIKeyNYVNQNOCBWUXCT-UHFFFAOYSA-N
XLogP9.66
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole (CID 14265980) is 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole is c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)oc2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is NYVNQNOCBWUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2/c1-5-13-25(14-6-1)31-33(27-17-9-3-10-18-27)39-35(37-31)29-21-23-30(24-22-29)36-38-32(26-15-7-2-8-16-26)34(40-36)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 516.60 g/mol, XLogP of 9.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 14265980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).