ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate

C32H42FN3O5 — CID 143430315

IUPACethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
SMILESCCCc1cc(F)cc(-c2nc(CN(CC(=O)NC)Cc3cc(C)c(OC(C)(C)C(=O)OCC)c(C)c3)c(C)o2)c1
InChIInChI=1S/C32H42FN3O5/c1-9-11-23-14-25(16-26(33)15-23)30-35-27(22(5)40-30)18-36(19-28(37)34-8)17-24-12-20(3)29(21(4)13-24)41-32(6,7)31(38)39-10-2/h12-16H,9-11,17-19H2,1-8H3,(H,34,37)
InChIKeyFCEOTHLIFDWLNI-UHFFFAOYSA-N
MW567.70 g/mol
LogP5.83
Rot. Bonds13

About ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate

ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate (PubChem CID 143430315) has the molecular formula C32H42FN3O5 and a molecular weight of 567.70 g/mol. Its IUPAC name is ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
PubChem CID143430315
Molecular FormulaC32H42FN3O5
Molecular Weight567.70 g/mol
Exact Mass567.31
IUPAC Nameethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
SMILESCCCc1cc(F)cc(-c2nc(CN(CC(=O)NC)Cc3cc(C)c(OC(C)(C)C(=O)OCC)c(C)c3)c(C)o2)c1
InChIInChI=1S/C32H42FN3O5/c1-9-11-23-14-25(16-26(33)15-23)30-35-27(22(5)40-30)18-36(19-28(37)34-8)17-24-12-20(3)29(21(4)13-24)41-32(6,7)31(38)39-10-2/h12-16H,9-11,17-19H2,1-8H3,(H,34,37)
InChIKeyFCEOTHLIFDWLNI-UHFFFAOYSA-N
XLogP5.83
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.70
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate with MolForge

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Related Compounds

ethyl 2-[4-[[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 143430338
ethyl 2-[4-[[[2-(cyclopropylamino)-2-oxoethyl]-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 23159323
ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 23159238
2-[4-[[bis[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 23159283
ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate
CID 58964667
2-[2,6-dimethyl-4-[[[methyl-(methylideneamino)carbamoyl]oxymethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 143430445
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
ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate
CID 71497486
ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 135617795
ethyl 2-(2,6-dimethyl-4-sulfanylphenoxy)-2-methylpropanoate
CID 176907549
2-[4-[[furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 71459487

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate (CID 143430315) is ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate is CCCc1cc(F)cc(-c2nc(CN(CC(=O)NC)Cc3cc(C)c(OC(C)(C)C(=O)OCC)c(C)c3)c(C)o2)c1.
What is the InChIKey of ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
The InChIKey is FCEOTHLIFDWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN3O5/c1-9-11-23-14-25(16-26(33)15-23)30-35-27(22(5)40-30)18-36(19-28(37)34-8)17-24-12-20(3)29(21(4)13-24)41-32(6,7)31(38)39-10-2/h12-16H,9-11,17-19H2,1-8H3,(H,34,37).
What are the key properties of ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate?
ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate has a molecular weight of 567.70 g/mol, XLogP of 5.83, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[[2-(3-fluoro-5-propylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate is sourced from PubChem (CID 143430315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).