methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate

C28H35NO5 — CID 69280741

IUPACmethyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1c(C)cc(OCc2nc(-c3ccc(C(C)C)cc3)oc2C)cc1C)C(=O)OC
InChIInChI=1S/C28H35NO5/c1-8-32-26(28(30)31-7)15-24-18(4)13-23(14-19(24)5)33-16-25-20(6)34-27(29-25)22-11-9-21(10-12-22)17(2)3/h9-14,17,26H,8,15-16H2,1-7H3
InChIKeyWUEDLBADBZVYDH-UHFFFAOYSA-N
MW465.59 g/mol
LogP6.09
Rot. Bonds10

About methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate

methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate (PubChem CID 69280741) has the molecular formula C28H35NO5 and a molecular weight of 465.59 g/mol. Its IUPAC name is methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate.

Molecular Properties

Compound Namemethyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
PubChem CID69280741
Molecular FormulaC28H35NO5
Molecular Weight465.59 g/mol
Exact Mass465.25
IUPAC Namemethyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1c(C)cc(OCc2nc(-c3ccc(C(C)C)cc3)oc2C)cc1C)C(=O)OC
InChIInChI=1S/C28H35NO5/c1-8-32-26(28(30)31-7)15-24-18(4)13-23(14-19(24)5)33-16-25-20(6)34-27(29-25)22-11-9-21(10-12-22)17(2)3/h9-14,17,26H,8,15-16H2,1-7H3
InChIKeyWUEDLBADBZVYDH-UHFFFAOYSA-N
XLogP6.09
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[4-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoate
CID 69487617
3-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoic acid
CID 22273934
methyl (2S)-2-ethoxy-3-[2-fluoro-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoate
CID 69279897
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381
methyl 2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetate
CID 22507119
2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
CID 22273910
2-ethoxy-3-[2-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 22273882
methyl 3-[2,6-dimethyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-ethoxypropanoate
CID 68616602
(2S)-3-[2-chloro-4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid
CID 10253066
methyl (2S)-3-methyl-2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methylamino]butanoate
CID 69362281
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110610248

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
The IUPAC name of methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate (CID 69280741) is methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate.
What is the SMILES notation for methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
The canonical SMILES for methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate is CCOC(Cc1c(C)cc(OCc2nc(-c3ccc(C(C)C)cc3)oc2C)cc1C)C(=O)OC.
What is the InChIKey of methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
The InChIKey is WUEDLBADBZVYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO5/c1-8-32-26(28(30)31-7)15-24-18(4)13-23(14-19(24)5)33-16-25-20(6)34-27(29-25)22-11-9-21(10-12-22)17(2)3/h9-14,17,26H,8,15-16H2,1-7H3.
What are the key properties of methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate has a molecular weight of 465.59 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate is sourced from PubChem (CID 69280741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).