ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate

C32H35NO6 — CID 69232282

IUPACethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCCc2coc(-c3cccc(C)c3)n2)cc1COc1cccc(C)c1
InChIInChI=1S/C32H35NO6/c1-6-35-31(34)32(4,5)39-29-14-13-28(19-25(29)20-37-27-12-8-10-23(3)18-27)36-16-15-26-21-38-30(33-26)24-11-7-9-22(2)17-24/h7-14,17-19,21H,6,15-16,20H2,1-5H3
InChIKeyVQICFNMSQDWXSD-UHFFFAOYSA-N
MW529.63 g/mol
LogP6.88
Rot. Bonds12

About ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate

ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate (PubChem CID 69232282) has the molecular formula C32H35NO6 and a molecular weight of 529.63 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate
PubChem CID69232282
Molecular FormulaC32H35NO6
Molecular Weight529.63 g/mol
Exact Mass529.25
IUPAC Nameethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCCc2coc(-c3cccc(C)c3)n2)cc1COc1cccc(C)c1
InChIInChI=1S/C32H35NO6/c1-6-35-31(34)32(4,5)39-29-14-13-28(19-25(29)20-37-27-12-8-10-23(3)18-27)36-16-15-26-21-38-30(33-26)24-11-7-9-22(2)17-24/h7-14,17-19,21H,6,15-16,20H2,1-5H3
InChIKeyVQICFNMSQDWXSD-UHFFFAOYSA-N
XLogP6.88
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.63
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate with MolForge

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Related Compounds

ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 69232281
2-[2-(benzylcarbamoyloxymethyl)-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid
CID 69231457
2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
CID 23589987
ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 23589999
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-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
2-[2-(hydroxymethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
CID 22261220
ethyl 2-[4-[[4-(2-hydroxyethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methoxy]-2-methylphenoxy]-2-methylpropanoate
CID 67072512
2-[methoxycarbonyl-[[3-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 46888968
ethyl 2-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-methylphenoxy]-2-methylpropanoate
CID 10297772
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate (CID 69232282) is ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(OCCc2coc(-c3cccc(C)c3)n2)cc1COc1cccc(C)c1.
What is the InChIKey of ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate?
The InChIKey is VQICFNMSQDWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO6/c1-6-35-31(34)32(4,5)39-29-14-13-28(19-25(29)20-37-27-12-8-10-23(3)18-27)36-16-15-26-21-38-30(33-26)24-11-7-9-22(2)17-24/h7-14,17-19,21H,6,15-16,20H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate?
ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate has a molecular weight of 529.63 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate is sourced from PubChem (CID 69232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).