5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole

C50H60N2O9 — CID 11468527

IUPAC5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
SMILESCc1cc(-c2ccccc2)cc(C)c1OCCCc1cc(COCCOCCOCCOCCOCc2cc(CCCOc3c(C)cc(-c4ccccc4)cc3C)on2)no1
InChIInChI=1S/C50H60N2O9/c1-37-29-43(41-13-7-5-8-14-41)30-38(2)49(37)58-19-11-17-47-33-45(51-60-47)35-56-27-25-54-23-21-53-22-24-55-26-28-57-36-46-34-48(61-52-46)18-12-20-59-50-39(3)31-44(32-40(50)4)42-15-9-6-10-16-42/h5-10,13-16,29-34H,11-12,17-28,35-36H2,1-4H3
InChIKeyREALINJEHLPNSJ-UHFFFAOYSA-N
MW833.03 g/mol
LogP10.04
Rot. Bonds28

About 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole

5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole (PubChem CID 11468527) has the molecular formula C50H60N2O9 and a molecular weight of 833.03 g/mol. Its IUPAC name is 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
PubChem CID11468527
Molecular FormulaC50H60N2O9
Molecular Weight833.03 g/mol
Exact Mass832.43
IUPAC Name5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
SMILESCc1cc(-c2ccccc2)cc(C)c1OCCCc1cc(COCCOCCOCCOCCOCc2cc(CCCOc3c(C)cc(-c4ccccc4)cc3C)on2)no1
InChIInChI=1S/C50H60N2O9/c1-37-29-43(41-13-7-5-8-14-41)30-38(2)49(37)58-19-11-17-47-33-45(51-60-47)35-56-27-25-54-23-21-53-22-24-55-26-28-57-36-46-34-48(61-52-46)18-12-20-59-50-39(3)31-44(32-40(50)4)42-15-9-6-10-16-42/h5-10,13-16,29-34H,11-12,17-28,35-36H2,1-4H3
InChIKeyREALINJEHLPNSJ-UHFFFAOYSA-N
XLogP10.04
TPSA116.67 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole with MolForge

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Related Compounds

5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
CID 11468831
3-[4-[3-[3-[2-[2-[[4-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxymethyl]-1,2-oxazol-5-yl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 11170674
6-[5-[(3S,3aS)-4,6-dioxo-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrol-3-yl]pentanoylamino]-N-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethyl]hexanamide
CID 59712112
3-[4-[9-[3-(methoxymethyl)-1,2-oxazol-5-yl]nonoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
CID 19804365
3-[3,5-dimethyl-4-[3-(3-phenyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162667897
5-[3-[4-[3,5-bis(trifluoromethyl)phenyl]-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole
CID 155551419
2-[5-[3-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]propyl]-1,2-oxazol-3-yl]ethanol
CID 516136
5-methyl-3-(2-phenoxyethoxymethyl)-1,2-oxazole
CID 155013204
3-(3-methoxypropoxymethyl)-5-[2-[3-(5-methyl-1,2-oxazol-3-yl)propoxy]ethoxymethyl]-1,2-oxazole
CID 135279212
3-[3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-5-phenyl-1,2,4-oxadiazole
CID 71581982
3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 5273034
3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzonitrile
CID 14981815

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
The IUPAC name of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole (CID 11468527) is 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
The canonical SMILES for 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole is Cc1cc(-c2ccccc2)cc(C)c1OCCCc1cc(COCCOCCOCCOCCOCc2cc(CCCOc3c(C)cc(-c4ccccc4)cc3C)on2)no1.
What is the InChIKey of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
The InChIKey is REALINJEHLPNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60N2O9/c1-37-29-43(41-13-7-5-8-14-41)30-38(2)49(37)58-19-11-17-47-33-45(51-60-47)35-56-27-25-54-23-21-53-22-24-55-26-28-57-36-46-34-48(61-52-46)18-12-20-59-50-39(3)31-44(32-40(50)4)42-15-9-6-10-16-42/h5-10,13-16,29-34H,11-12,17-28,35-36H2,1-4H3.
What are the key properties of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole has a molecular weight of 833.03 g/mol, XLogP of 10.04, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole is sourced from PubChem (CID 11468527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).