N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine

C30H42N2O3 — CID 67554465

IUPACN-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccccc1OCCc1coc(-c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)n1
InChIInChI=1S/C30H42N2O3/c1-10-32(8)19-21-13-11-12-14-26(21)34-16-15-23-20-35-28(31-23)22-17-24(29(2,3)4)27(33-9)25(18-22)30(5,6)7/h11-14,17-18,20H,10,15-16,19H2,1-9H3
InChIKeyBQPHCUHBHFSYOD-UHFFFAOYSA-N
MW478.68 g/mol
LogP7.02
Rot. Bonds9

About N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine

N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine (PubChem CID 67554465) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
PubChem CID67554465
Molecular FormulaC30H42N2O3
Molecular Weight478.68 g/mol
Exact Mass478.32
IUPAC NameN-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccccc1OCCc1coc(-c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)n1
InChIInChI=1S/C30H42N2O3/c1-10-32(8)19-21-13-11-12-14-26(21)34-16-15-23-20-35-28(31-23)22-17-24(29(2,3)4)27(33-9)25(18-22)30(5,6)7/h11-14,17-18,20H,10,15-16,19H2,1-9H3
InChIKeyBQPHCUHBHFSYOD-UHFFFAOYSA-N
XLogP7.02
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine with MolForge

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Related Compounds

2-[[4-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 57228738
N-[[4-[2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
CID 54398589
2,6-ditert-butyl-4-[4-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol
CID 135725033
2,6-ditert-butyl-4-[4-[2-[2-[2-(ethylamino)ethyl]-4-methylphenoxy]ethyl]-1,3-oxazol-2-yl]phenol
CID 139893607
2,6-ditert-butyl-4-[4-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-1,3-oxazol-2-yl]phenol;dihydrate;hydrochloride
CID 135853158
2,6-ditert-butyl-4-[4-[2-(2-chloro-4-methylphenoxy)ethyl]-1,3-oxazol-2-yl]phenol;N-methylethanamine;hydrochloride
CID 135725116
4-[[2-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-propan-2-yl-1H-1,2,4-triazol-4-ium-5-one
CID 54041943
4-ethyl-2-methyl-4-[[2-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,2,4-triazol-4-ium-3-one
CID 54253895
2,6-ditert-butyl-4-[4-[2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)ethyl]-1,3-oxazol-2-yl]phenol
CID 135725145
4-butyl-4-[[2-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1H-1,2,4-triazol-4-ium-5-one
CID 54062084
2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole
CID 18515879
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine?
The IUPAC name of N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine (CID 67554465) is N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine is CCN(C)Cc1ccccc1OCCc1coc(-c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)n1.
What is the InChIKey of N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine?
The InChIKey is BQPHCUHBHFSYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O3/c1-10-32(8)19-21-13-11-12-14-26(21)34-16-15-23-20-35-28(31-23)22-17-24(29(2,3)4)27(33-9)25(18-22)30(5,6)7/h11-14,17-18,20H,10,15-16,19H2,1-9H3.
What are the key properties of N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine?
N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine has a molecular weight of 478.68 g/mol, XLogP of 7.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[2-(3,5-ditert-butyl-4-methoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine is sourced from PubChem (CID 67554465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).