ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate

C24H27NO6 — CID 135617795

IUPACethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccc(O)cc3)oc2C)cc1
InChIInChI=1S/C24H27NO6/c1-5-28-23(27)24(3,4)31-20-12-10-19(11-13-20)29-15-14-21-16(2)30-22(25-21)17-6-8-18(26)9-7-17/h6-13,26H,5,14-15H2,1-4H3
InChIKeyULFHBHMAHKMHSV-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.70
Rot. Bonds9

About ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate

ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate (PubChem CID 135617795) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
PubChem CID135617795
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Nameethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccc(O)cc3)oc2C)cc1
InChIInChI=1S/C24H27NO6/c1-5-28-23(27)24(3,4)31-20-12-10-19(11-13-20)29-15-14-21-16(2)30-22(25-21)17-6-8-18(26)9-7-17/h6-13,26H,5,14-15H2,1-4H3
InChIKeyULFHBHMAHKMHSV-UHFFFAOYSA-N
XLogP4.70
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 23589999
2-methyl-2-[4-[2-[5-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid
CID 59900655
2-[4-[2-[2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid
CID 22633499
[4-[5-methyl-4-[2-[4-(2-methyl-3-oxobutan-2-yl)oxyphenoxy]ethyl]-1,3-oxazol-2-yl]phenyl]boronic acid
CID 58343798
4-[3-[4-[2-[3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenoxy]ethyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzoic acid
CID 22633475
ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 69232281
ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate
CID 71497486
2-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid
CID 22633490
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
ethyl 3-[4-[2-[2-[3-(4-fluorophenyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]-2-methyl-2-phenoxypropanoate
CID 69354707
ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
CID 91034363

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate (CID 135617795) is ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccc(O)cc3)oc2C)cc1.
What is the InChIKey of ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?
The InChIKey is ULFHBHMAHKMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-5-28-23(27)24(3,4)31-20-12-10-19(11-13-20)29-15-14-21-16(2)30-22(25-21)17-6-8-18(26)9-7-17/h6-13,26H,5,14-15H2,1-4H3.
What are the key properties of ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate?
ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate has a molecular weight of 425.48 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 135617795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).