2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

C44H38N4O2 — CID 135250578

IUPAC2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc(C5=NC(C)(C)CO5)c4)n3)c2)=N1
InChIInChI=1S/C44H38N4O2/c1-43(2)27-49-41(47-43)33-19-11-17-31(21-33)38-26-39(46-40(45-38)32-18-12-20-34(22-32)42-48-44(3,4)28-50-42)37-24-35(29-13-7-5-8-14-29)23-36(25-37)30-15-9-6-10-16-30/h5-26H,27-28H2,1-4H3
InChIKeyKYMVOYNVLUVHLT-UHFFFAOYSA-N
MW654.81 g/mol
LogP9.92
Rot. Bonds7

About 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250578) has the molecular formula C44H38N4O2 and a molecular weight of 654.81 g/mol. Its IUPAC name is 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250578
Molecular FormulaC44H38N4O2
Molecular Weight654.81 g/mol
Exact Mass654.30
IUPAC Name2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc(C5=NC(C)(C)CO5)c4)n3)c2)=N1
InChIInChI=1S/C44H38N4O2/c1-43(2)27-49-41(47-43)33-19-11-17-31(21-33)38-26-39(46-40(45-38)32-18-12-20-34(22-32)42-48-44(3,4)28-50-42)37-24-35(29-13-7-5-8-14-29)23-36(25-37)30-15-9-6-10-16-30/h5-26H,27-28H2,1-4H3
InChIKeyKYMVOYNVLUVHLT-UHFFFAOYSA-N
XLogP9.92
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 159653290
2,4-bis(3,5-diphenylphenyl)-6-phenylpyridine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]pyridine;4-phenyl-2,6-bis[3-(4-phenylphenyl)phenyl]pyridine
CID 159753320
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
CID 175619331
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[6-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250755
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363684
4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
CID 59552862

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250578) is 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc(C5=NC(C)(C)CO5)c4)n3)c2)=N1.
What is the InChIKey of 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is KYMVOYNVLUVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38N4O2/c1-43(2)27-49-41(47-43)33-19-11-17-31(21-33)38-26-39(46-40(45-38)32-18-12-20-34(22-32)42-48-44(3,4)28-50-42)37-24-35(29-13-7-5-8-14-29)23-36(25-37)30-15-9-6-10-16-30/h5-26H,27-28H2,1-4H3.
What are the key properties of 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 654.81 g/mol, XLogP of 9.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-6-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).