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

C18H16FNO3 — CID 57259651

IUPACethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)(c2ccc(F)cc2)ON1
InChIInChI=1S/C18H16FNO3/c1-2-22-17(21)16-12-18(23-20-16,13-6-4-3-5-7-13)14-8-10-15(19)11-9-14/h3-12,20H,2H2,1H3
InChIKeyMRVQUMZQIAVGBS-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.05
Rot. Bonds4

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

ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate (PubChem CID 57259651) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate
PubChem CID57259651
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Nameethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)(c2ccc(F)cc2)ON1
InChIInChI=1S/C18H16FNO3/c1-2-22-17(21)16-12-18(23-20-16,13-6-4-3-5-7-13)14-8-10-15(19)11-9-14/h3-12,20H,2H2,1H3
InChIKeyMRVQUMZQIAVGBS-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-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

3-Amino-6-(4-fluorophenyl)-4-phenylpyran-2-one
CID 51036873
5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylic acid
CID 57016799
5-(4-Fluorophenyl)-2-oxo-5-phenyl-1,2-oxazol-2-ium-3-carboxylate
CID 87966329
Ethyl 5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 90984218
Ethyl 5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 91124090
Ethyl 5-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 91496186
ethyl (5R)-5-(4-fluorophenyl)-4-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 123781941
dibenzyl (Z)-2-aminobut-2-enedioate
CID 138567184
benzyl (Z)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 177388301
ethyl 5,5-diphenyl-2H-1,2-oxazole-3-carboxylate
CID 57018744
Ethyl 5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57297314
5,5-Diphenyl-2,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 57305027

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate (CID 57259651) is ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate is CCOC(=O)C1=CC(c2ccccc2)(c2ccc(F)cc2)ON1.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate?
The InChIKey is MRVQUMZQIAVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-2-22-17(21)16-12-18(23-20-16,13-6-4-3-5-7-13)14-8-10-15(19)11-9-14/h3-12,20H,2H2,1H3.
What are the key properties of ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-5-phenyl-2H-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 57259651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).