ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate

C27H33NO4 — CID 142821085

IUPACethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCCc2nc(-c3ccc(C)c(C)c3)oc2C)cc1CC
InChIInChI=1S/C27H33NO4/c1-6-21-17-24(12-10-22(21)11-13-26(29)30-7-2)31-15-14-25-20(5)32-27(28-25)23-9-8-18(3)19(4)16-23/h8-10,12,16-17H,6-7,11,13-15H2,1-5H3
InChIKeyIVEKENHCFASTBA-UHFFFAOYSA-N
MW435.56 g/mol
LogP5.95
Rot. Bonds10

About ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate

ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate (PubChem CID 142821085) has the molecular formula C27H33NO4 and a molecular weight of 435.56 g/mol. Its IUPAC name is ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate
PubChem CID142821085
Molecular FormulaC27H33NO4
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC Nameethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCCc2nc(-c3ccc(C)c(C)c3)oc2C)cc1CC
InChIInChI=1S/C27H33NO4/c1-6-21-17-24(12-10-22(21)11-13-26(29)30-7-2)31-15-14-25-20(5)32-27(28-25)23-9-8-18(3)19(4)16-23/h8-10,12,16-17H,6-7,11,13-15H2,1-5H3
InChIKeyIVEKENHCFASTBA-UHFFFAOYSA-N
XLogP5.95
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(ethoxycarbonylamino)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979424
ethyl 2-[2-butyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]acetate
CID 69312031
3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979220
tert-butyl 3-[2-(methoxymethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 58979302
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-[(propoxycarbonylamino)methyl]phenyl]propanoic acid
CID 58979024
4-[2-[4-(hydroperoxymethyl)-3-methylphenoxy]ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 59964499
tert-butyl 3-[4-[2-[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-(3-oxo-3-propan-2-yloxypropyl)phenyl]propanoate
CID 87744276
3-[2-[(butylcarbamoylamino)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979382
3-[2-methyl-4-[2-[5-methyl-2-[4-(5-methyl-2-pyridinyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 58626627
3-[2-(methylaminomethyl)-4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 142193850
ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
CID 68883694
ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate
CID 86751224

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate?
The IUPAC name of ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate (CID 142821085) is ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate is CCOC(=O)CCc1ccc(OCCc2nc(-c3ccc(C)c(C)c3)oc2C)cc1CC.
What is the InChIKey of ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate?
The InChIKey is IVEKENHCFASTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4/c1-6-21-17-24(12-10-22(21)11-13-26(29)30-7-2)31-15-14-25-20(5)32-27(28-25)23-9-8-18(3)19(4)16-23/h8-10,12,16-17H,6-7,11,13-15H2,1-5H3.
What are the key properties of ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate?
ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate has a molecular weight of 435.56 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2-ethylphenyl]propanoate is sourced from PubChem (CID 142821085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).