2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

C48H36N6O3 — CID 23399520

IUPAC2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cccc(-c2nc3cccnc3o2)c1-c1c(C)c(-c2c(C)cccc2-c2nc3cccnc3o2)c(C)c(-c2c(C)cccc2-c2nc3cccnc3o2)c1C
InChIInChI=1S/C48H36N6O3/c1-25-13-7-16-31(43-52-34-19-10-22-49-46(34)55-43)37(25)40-28(4)41(38-26(2)14-8-17-32(38)44-53-35-20-11-23-50-47(35)56-44)30(6)42(29(40)5)39-27(3)15-9-18-33(39)45-54-36-21-12-24-51-48(36)57-45/h7-24H,1-6H3
InChIKeyNBEODRPFMLOTKI-UHFFFAOYSA-N
MW744.86 g/mol
LogP12.15
Rot. Bonds6

About 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine

2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 23399520) has the molecular formula C48H36N6O3 and a molecular weight of 744.86 g/mol. Its IUPAC name is 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID23399520
Molecular FormulaC48H36N6O3
Molecular Weight744.86 g/mol
Exact Mass744.28
IUPAC Name2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cccc(-c2nc3cccnc3o2)c1-c1c(C)c(-c2c(C)cccc2-c2nc3cccnc3o2)c(C)c(-c2c(C)cccc2-c2nc3cccnc3o2)c1C
InChIInChI=1S/C48H36N6O3/c1-25-13-7-16-31(43-52-34-19-10-22-49-46(34)55-43)37(25)40-28(4)41(38-26(2)14-8-17-32(38)44-53-35-20-11-23-50-47(35)56-44)30(6)42(29(40)5)39-27(3)15-9-18-33(39)45-54-36-21-12-24-51-48(36)57-45/h7-24H,1-6H3
InChIKeyNBEODRPFMLOTKI-UHFFFAOYSA-N
XLogP12.15
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.86
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine 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 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 23399520) is 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is Cc1cccc(-c2nc3cccnc3o2)c1-c1c(C)c(-c2c(C)cccc2-c2nc3cccnc3o2)c(C)c(-c2c(C)cccc2-c2nc3cccnc3o2)c1C.
What is the InChIKey of 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is NBEODRPFMLOTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N6O3/c1-25-13-7-16-31(43-52-34-19-10-22-49-46(34)55-43)37(25)40-28(4)41(38-26(2)14-8-17-32(38)44-53-35-20-11-23-50-47(35)56-44)30(6)42(29(40)5)39-27(3)15-9-18-33(39)45-54-36-21-12-24-51-48(36)57-45/h7-24H,1-6H3.
What are the key properties of 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 744.86 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-[2,4,6-trimethyl-3,5-bis[2-methyl-6-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 23399520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).