2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole

C48H35N3O3 — CID 67650515

IUPAC2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole
SMILESCc1cc(-c2ncco2)c(-c2ccc(-c3cc(-c4ccccc4)c(C)cc3-c3ncco3)c(-c3nc(C)c(-c4ccccc4)o3)c2)cc1-c1ccccc1
InChIInChI=1S/C48H35N3O3/c1-30-25-42(46-49-21-23-52-46)40(28-38(30)33-13-7-4-8-14-33)36-19-20-37(44(27-36)48-51-32(3)45(54-48)35-17-11-6-12-18-35)41-29-39(34-15-9-5-10-16-34)31(2)26-43(41)47-50-22-24-53-47/h4-29H,1-3H3
InChIKeyWEILGNAEBNAVAC-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.91
Rot. Bonds8

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

2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole (PubChem CID 67650515) has the molecular formula C48H35N3O3 and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole
PubChem CID67650515
Molecular FormulaC48H35N3O3
Molecular Weight701.83 g/mol
Exact Mass701.27
IUPAC Name2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole
SMILESCc1cc(-c2ncco2)c(-c2ccc(-c3cc(-c4ccccc4)c(C)cc3-c3ncco3)c(-c3nc(C)c(-c4ccccc4)o3)c2)cc1-c1ccccc1
InChIInChI=1S/C48H35N3O3/c1-30-25-42(46-49-21-23-52-46)40(28-38(30)33-13-7-4-8-14-33)36-19-20-37(44(27-36)48-51-32(3)45(54-48)35-17-11-6-12-18-35)41-29-39(34-15-9-5-10-16-34)31(2)26-43(41)47-50-22-24-53-47/h4-29H,1-3H3
InChIKeyWEILGNAEBNAVAC-UHFFFAOYSA-N
XLogP12.91
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole (CID 67650515) is 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole is Cc1cc(-c2ncco2)c(-c2ccc(-c3cc(-c4ccccc4)c(C)cc3-c3ncco3)c(-c3nc(C)c(-c4ccccc4)o3)c2)cc1-c1ccccc1.
What is the InChIKey of 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole?
The InChIKey is WEILGNAEBNAVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3O3/c1-30-25-42(46-49-21-23-52-46)40(28-38(30)33-13-7-4-8-14-33)36-19-20-37(44(27-36)48-51-32(3)45(54-48)35-17-11-6-12-18-35)41-29-39(34-15-9-5-10-16-34)31(2)26-43(41)47-50-22-24-53-47/h4-29H,1-3H3.
What are the key properties of 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole?
2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole has a molecular weight of 701.83 g/mol, XLogP of 12.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis[4-methyl-2-(1,3-oxazol-2-yl)-5-phenylphenyl]phenyl]-4-methyl-5-phenyl-1,3-oxazole is sourced from PubChem (CID 67650515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).