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

C36H36N6O3 — CID 135250689

IUPAC2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)cc(-c4ccc(C5=NC(C)(C)CO5)nc4)c3)cn2)=N1
InChIInChI=1S/C36H36N6O3/c1-34(2)19-43-31(40-34)28-10-7-22(16-37-28)25-13-26(23-8-11-29(38-17-23)32-41-35(3,4)20-44-32)15-27(14-25)24-9-12-30(39-18-24)33-42-36(5,6)21-45-33/h7-18H,19-21H2,1-6H3
InChIKeyGQKZHTIQEUPDHN-UHFFFAOYSA-N
MW600.72 g/mol
LogP6.54
Rot. Bonds6

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

2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250689) has the molecular formula C36H36N6O3 and a molecular weight of 600.72 g/mol. Its IUPAC name is 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250689
Molecular FormulaC36H36N6O3
Molecular Weight600.72 g/mol
Exact Mass600.28
IUPAC Name2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)cc(-c4ccc(C5=NC(C)(C)CO5)nc4)c3)cn2)=N1
InChIInChI=1S/C36H36N6O3/c1-34(2)19-43-31(40-34)28-10-7-22(16-37-28)25-13-26(23-8-11-29(38-17-23)32-41-35(3,4)20-44-32)15-27(14-25)24-9-12-30(39-18-24)33-42-36(5,6)21-45-33/h7-18H,19-21H2,1-6H3
InChIKeyGQKZHTIQEUPDHN-UHFFFAOYSA-N
XLogP6.54
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-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-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249963
2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole
CID 139889338
[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]boronic acid
CID 140726663
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
2-[4-(5-ethyl-2-pyridinyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 139818204
2-(3,4-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 12872558
2-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-1-ium-3-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 122386748
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
tetrakis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]boranuide
CID 53355034
2-[4-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 122212429
4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole
CID 175216968
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250689) is 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)CO5)nc4)cc(-c4ccc(C5=NC(C)(C)CO5)nc4)c3)cn2)=N1.
What is the InChIKey of 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GQKZHTIQEUPDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6O3/c1-34(2)19-43-31(40-34)28-10-7-22(16-37-28)25-13-26(23-8-11-29(38-17-23)32-41-35(3,4)20-44-32)15-27(14-25)24-9-12-30(39-18-24)33-42-36(5,6)21-45-33/h7-18H,19-21H2,1-6H3.
What are the key properties of 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 600.72 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).