ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate

C14H14FNO4 — CID 42883064

IUPACethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)oc1OCC
InChIInChI=1S/C14H14FNO4/c1-3-18-13(17)11-14(19-4-2)20-12(16-11)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyFAHOFOVQNNLKIS-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.06
Rot. Bonds5

About ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate

ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate (PubChem CID 42883064) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
PubChem CID42883064
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Nameethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(F)cc2)oc1OCC
InChIInChI=1S/C14H14FNO4/c1-3-18-13(17)11-14(19-4-2)20-12(16-11)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyFAHOFOVQNNLKIS-UHFFFAOYSA-N
XLogP3.06
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate 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

ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199500
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
5-ethoxy-2-(4-methylsulfonylphenyl)-1,3-oxazole-4-carboxylic acid
CID 62884828
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
5-ethoxy-2-(3,4,5-trifluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 63190215
2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 62885181
2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 62887458
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 2-(4-methoxyphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 152807830

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate (CID 42883064) is ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(F)cc2)oc1OCC.
What is the InChIKey of ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is FAHOFOVQNNLKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-3-18-13(17)11-14(19-4-2)20-12(16-11)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 279.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 42883064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).