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

C41H41N5O — CID 135250658

IUPAC4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(C4=NC(C)(C)CO4)c3)n2)c1
InChIInChI=1S/C41H41N5O/c1-27-44-40(4,5)41(6,7)46(27)34-18-12-16-32(24-34)37-42-35(30-21-19-29(20-22-30)28-13-9-8-10-14-28)25-36(43-37)31-15-11-17-33(23-31)38-45-39(2,3)26-47-38/h8-25H,26H2,1-7H3
InChIKeyYBFGCJRCISRINR-UHFFFAOYSA-N
MW619.81 g/mol
LogP9.50
Rot. Bonds6

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

4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole (PubChem CID 135250658) has the molecular formula C41H41N5O and a molecular weight of 619.81 g/mol. Its IUPAC name is 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole
PubChem CID135250658
Molecular FormulaC41H41N5O
Molecular Weight619.81 g/mol
Exact Mass619.33
IUPAC Name4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(C4=NC(C)(C)CO4)c3)n2)c1
InChIInChI=1S/C41H41N5O/c1-27-44-40(4,5)41(6,7)46(27)34-18-12-16-32(24-34)37-42-35(30-21-19-29(20-22-30)28-13-9-8-10-14-28)25-36(43-37)31-15-11-17-33(23-31)38-45-39(2,3)26-47-38/h8-25H,26H2,1-7H3
InChIKeyYBFGCJRCISRINR-UHFFFAOYSA-N
XLogP9.50
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole (CID 135250658) is 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole is CC1=NC(C)(C)C(C)(C)N1c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(C4=NC(C)(C)CO4)c3)n2)c1.
What is the InChIKey of 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole?
The InChIKey is YBFGCJRCISRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N5O/c1-27-44-40(4,5)41(6,7)46(27)34-18-12-16-32(24-34)37-42-35(30-21-19-29(20-22-30)28-13-9-8-10-14-28)25-36(43-37)31-15-11-17-33(23-31)38-45-39(2,3)26-47-38/h8-25H,26H2,1-7H3.
What are the key properties of 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole has a molecular weight of 619.81 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[3-[2-[3-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 135250658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).