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

C27H39N3O3 — CID 11166913

IUPAC2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1c(CC2=NC(C)(C)CO2)c(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=NC(C)(C)CO1
InChIInChI=1S/C27H39N3O3/c1-16-19(10-22-28-25(4,5)13-31-22)17(2)21(12-24-30-27(8,9)15-33-24)18(3)20(16)11-23-29-26(6,7)14-32-23/h10-15H2,1-9H3
InChIKeyJLFRRWJYUCZUFJ-UHFFFAOYSA-N
MW453.63 g/mol
LogP4.86
Rot. Bonds6

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

2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11166913) has the molecular formula C27H39N3O3 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11166913
Molecular FormulaC27H39N3O3
Molecular Weight453.63 g/mol
Exact Mass453.30
IUPAC Name2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1c(CC2=NC(C)(C)CO2)c(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=NC(C)(C)CO1
InChIInChI=1S/C27H39N3O3/c1-16-19(10-22-28-25(4,5)13-31-22)17(2)21(12-24-30-27(8,9)15-33-24)18(3)20(16)11-23-29-26(6,7)14-32-23/h10-15H2,1-9H3
InChIKeyJLFRRWJYUCZUFJ-UHFFFAOYSA-N
XLogP4.86
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
2-[1-(2,4-dimethylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092682
2-[1-(2-ethyl-4-methylphenyl)cyclopentyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101388862
(4S)-4-propan-2-yl-2-[[2,4,6-trimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 102276346
2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 102276347
2-[[3,5-Bis(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 101011542
4,4-dimethyl-2-[(3,4,5-trimethylphenyl)methyl]-5H-1,3-oxazole
CID 22949524
4-Propyl-2-[[2,4,6-trimethyl-3-[(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 58810718
2-[[2-Methyl-4-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phenyl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 70879083
4-Propyl-2-[[2,4,6-trimethyl-3-[2-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 143100329
4,4-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-5H-1,3-oxazole
CID 10657166
2-[[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethyl-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11236705

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole (CID 11166913) is 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1c(CC2=NC(C)(C)CO2)c(C)c(CC2=NC(C)(C)CO2)c(C)c1CC1=NC(C)(C)CO1.
What is the InChIKey of 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is JLFRRWJYUCZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O3/c1-16-19(10-22-28-25(4,5)13-31-22)17(2)21(12-24-30-27(8,9)15-33-24)18(3)20(16)11-23-29-26(6,7)14-32-23/h10-15H2,1-9H3.
What are the key properties of 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 453.63 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11166913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).