methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate

C28H27NO4 — CID 10003432

IUPACmethyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CCc2nc(-c3cccc(C)c3)c(-c3cccc(C)c3)o2)c1
InChIInChI=1S/C28H27NO4/c1-19-7-4-10-22(15-19)27-28(23-11-5-8-20(2)16-23)33-25(29-27)14-13-21-9-6-12-24(17-21)32-18-26(30)31-3/h4-12,15-17H,13-14,18H2,1-3H3
InChIKeyZBBMDHOTBRIUQQ-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.96
Rot. Bonds8

About methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate

methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate (PubChem CID 10003432) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
PubChem CID10003432
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Namemethyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CCc2nc(-c3cccc(C)c3)c(-c3cccc(C)c3)o2)c1
InChIInChI=1S/C28H27NO4/c1-19-7-4-10-22(15-19)27-28(23-11-5-8-20(2)16-23)33-25(29-27)14-13-21-9-6-12-24(17-21)32-18-26(30)31-3/h4-12,15-17H,13-14,18H2,1-3H3
InChIKeyZBBMDHOTBRIUQQ-UHFFFAOYSA-N
XLogP5.96
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
CID 10478877
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid
CID 10094051
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
methyl 2-[3-(4-oxobutyl)phenoxy]acetate
CID 21221318
methyl 2-[3-(2-hydroxy-5-methylphenyl)phenoxy]acetate
CID 10659778
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666377
methyl 2-[3-[(E)-2-cyano-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetate
CID 14971800
methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate
CID 10435449
methyl 2-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]acetate
CID 10435598
methyl 2-(3-phosphorosophenoxy)acetate
CID 118226316

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate (CID 10003432) is methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate is COC(=O)COc1cccc(CCc2nc(-c3cccc(C)c3)c(-c3cccc(C)c3)o2)c1.
What is the InChIKey of methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
The InChIKey is ZBBMDHOTBRIUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-19-7-4-10-22(15-19)27-28(23-11-5-8-20(2)16-23)33-25(29-27)14-13-21-9-6-12-24(17-21)32-18-26(30)31-3/h4-12,15-17H,13-14,18H2,1-3H3.
What are the key properties of methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate?
methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate has a molecular weight of 441.53 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate is sourced from PubChem (CID 10003432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).