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

C36H24N2O2 — CID 91096492

IUPAC2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C36H24N2O2/c1-5-14-25(15-6-1)31-33(27-18-9-3-10-19-27)39-35(37-31)29-22-13-23-30(24-29)36-38-32(26-16-7-2-8-17-26)34(40-36)28-20-11-4-12-21-28/h1-24H
InChIKeyFWXKBGSWSRWUKP-UHFFFAOYSA-N
MW516.60 g/mol
LogP9.66
Rot. Bonds6

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

2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole (PubChem CID 91096492) has the molecular formula C36H24N2O2 and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole
PubChem CID91096492
Molecular FormulaC36H24N2O2
Molecular Weight516.60 g/mol
Exact Mass516.18
IUPAC Name2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole
SMILESc1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)c3)oc2-c2ccccc2)cc1
InChIInChI=1S/C36H24N2O2/c1-5-14-25(15-6-1)31-33(27-18-9-3-10-19-27)39-35(37-31)29-22-13-23-30(24-29)36-38-32(26-16-7-2-8-17-26)34(40-36)28-20-11-4-12-21-28/h1-24H
InChIKeyFWXKBGSWSRWUKP-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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Related Compounds

Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Phenylpropanoic acid derivative, 56
CID 10164032
Phenylpropanoic acid derivative, 57
CID 10164033
Benzamide, 3-(((1S)-2-(4,5-diphenyl-2-oxazolyl)-2-cyclohexen-1-yl)methyl)-N-((phenylmethyl)sulfonyl)-
CID 9894720
N-Benzyloxy-3-[(S)-2-(4,5-diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-benzamide
CID 11387144
3-[(S)-2-(4,5-Diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-benzoic acid
CID 9955802
(E)-3-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenyl]prop-2-enoic acid
CID 10318526
{3-[(S)-2-(4,5-Diphenyl-oxazol-2-yl)-cyclohex-2-enylmethyl]-phenyl}-acetic acid
CID 44400189
Benzilam
CID 275930
2-Oxazolebutanoic acid, 4,5-diphenyl-
CID 10357855
Oxazole, 4,5-diphenyl-2-(1-pyrrolidinylmethyl)-
CID 214427

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole (CID 91096492) is 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole is c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)c3)oc2-c2ccccc2)cc1.
What is the InChIKey of 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is FWXKBGSWSRWUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2/c1-5-14-25(15-6-1)31-33(27-18-9-3-10-19-27)39-35(37-31)29-22-13-23-30(24-29)36-38-32(26-16-7-2-8-17-26)34(40-36)28-20-11-4-12-21-28/h1-24H.
What are the key properties of 2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole?
2-[3-(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-[3-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 91096492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).