[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate

C20H18FNO4 — CID 55543684

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FNO4/c1-14-4-2-3-5-18(14)24-11-10-19(23)25-12-17-13-26-20(22-17)15-6-8-16(21)9-7-15/h2-9,13H,10-12H2,1H3
InChIKeyDFEYIZMMYBYMKT-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.30
Rot. Bonds7

About [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate (PubChem CID 55543684) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
PubChem CID55543684
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FNO4/c1-14-4-2-3-5-18(14)24-11-10-19(23)25-12-17-13-26-20(22-17)15-6-8-16(21)9-7-15/h2-9,13H,10-12H2,1H3
InChIKeyDFEYIZMMYBYMKT-UHFFFAOYSA-N
XLogP4.30
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 31711430
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 55543502
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 34139985
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
CID 32654742
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 31681304
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate (CID 55543684) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate?
The InChIKey is DFEYIZMMYBYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-14-4-2-3-5-18(14)24-11-10-19(23)25-12-17-13-26-20(22-17)15-6-8-16(21)9-7-15/h2-9,13H,10-12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate has a molecular weight of 355.37 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 55543684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).