methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate

C23H23ClFNO5 — CID 69279915

IUPACmethyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1ccc(OCc2nc(-c3ccccc3F)oc2C)cc1Cl)C(=O)OC
InChIInChI=1S/C23H23ClFNO5/c1-4-29-21(23(27)28-3)11-15-9-10-16(12-18(15)24)30-13-20-14(2)31-22(26-20)17-7-5-6-8-19(17)25/h5-10,12,21H,4,11,13H2,1-3H3
InChIKeyUEFMZASQBVAUKO-UHFFFAOYSA-N
MW447.89 g/mol
LogP5.14
Rot. Bonds9

About methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate

methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate (PubChem CID 69279915) has the molecular formula C23H23ClFNO5 and a molecular weight of 447.89 g/mol. Its IUPAC name is methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate.

Molecular Properties

Compound Namemethyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
PubChem CID69279915
Molecular FormulaC23H23ClFNO5
Molecular Weight447.89 g/mol
Exact Mass447.12
IUPAC Namemethyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
SMILESCCOC(Cc1ccc(OCc2nc(-c3ccccc3F)oc2C)cc1Cl)C(=O)OC
InChIInChI=1S/C23H23ClFNO5/c1-4-29-21(23(27)28-3)11-15-9-10-16(12-18(15)24)30-13-20-14(2)31-22(26-20)17-7-5-6-8-19(17)25/h5-10,12,21H,4,11,13H2,1-3H3
InChIKeyUEFMZASQBVAUKO-UHFFFAOYSA-N
XLogP5.14
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.89
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate with MolForge

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Related Compounds

Romazarit
CID 71321
Bms-687453
CID 16725047
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CID 16727109
N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine
CID 45254002
Dimethyl 4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)benzylmalonate
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Diethyl 4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylmalonate
CID 11797860
(2s,5s)-2-Methyl-5-(4-((5-methyl-2-p-tolyloxazol-4-yl)methoxy)benzyl)-1,3-dioxane-2-carboxylic acid
CID 25147673
5-[3-[4-[(5-Methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl]-1,3-oxazolidine-2,4-dione
CID 9953146
Methyl 3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propionate
CID 10522854
Dimethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzyl]malonate
CID 10550935
Dimethyl [4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzylidene]-malonate
CID 10788309
(3E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-propoxyiminobutanoic acid
CID 11247579

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
The IUPAC name of methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate (CID 69279915) is methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate.
What is the SMILES notation for methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
The canonical SMILES for methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate is CCOC(Cc1ccc(OCc2nc(-c3ccccc3F)oc2C)cc1Cl)C(=O)OC.
What is the InChIKey of methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
The InChIKey is UEFMZASQBVAUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO5/c1-4-29-21(23(27)28-3)11-15-9-10-16(12-18(15)24)30-13-20-14(2)31-22(26-20)17-7-5-6-8-19(17)25/h5-10,12,21H,4,11,13H2,1-3H3.
What are the key properties of methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate?
methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate has a molecular weight of 447.89 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate is sourced from PubChem (CID 69279915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).