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

C13H9F4NO3 — CID 103199500

IUPACethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H9F4NO3/c1-2-20-12(19)9-10(13(15,16)17)18-11(21-9)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3
InChIKeyUZRAKETVMSQQSD-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.68
Rot. Bonds3

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

ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199500) has the molecular formula C13H9F4NO3 and a molecular weight of 303.21 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID103199500
Molecular FormulaC13H9F4NO3
Molecular Weight303.21 g/mol
Exact Mass303.05
IUPAC Nameethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C13H9F4NO3/c1-2-20-12(19)9-10(13(15,16)17)18-11(21-9)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3
InChIKeyUZRAKETVMSQQSD-UHFFFAOYSA-N
XLogP3.68
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 103199500) is ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2ccc(F)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is UZRAKETVMSQQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO3/c1-2-20-12(19)9-10(13(15,16)17)18-11(21-9)7-3-5-8(14)6-4-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 303.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).