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

C18H16FNO3 — CID 154152097

IUPACethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-2-22-18(21)16-15(12-8-10-14(19)11-9-12)17(23-20-16)13-6-4-3-5-7-13/h3-11,15,17H,2H2,1H3
InChIKeyCSMMTJUWKNXELS-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.60
Rot. Bonds4

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

ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 154152097) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID154152097
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Nameethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-2-22-18(21)16-15(12-8-10-14(19)11-9-12)17(23-20-16)13-6-4-3-5-7-13/h3-11,15,17H,2H2,1H3
InChIKeyCSMMTJUWKNXELS-UHFFFAOYSA-N
XLogP3.60
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 154152097) is ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NOC(c2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is CSMMTJUWKNXELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-2-22-18(21)16-15(12-8-10-14(19)11-9-12)17(23-20-16)13-6-4-3-5-7-13/h3-11,15,17H,2H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154152097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).