ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate

C19H15F3N2O3 — CID 142745601

IUPACethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1N
InChIInChI=1S/C19H15F3N2O3/c1-2-26-18(25)15-16(13-5-3-4-6-14(13)23)27-17(24-15)11-7-9-12(10-8-11)19(20,21)22/h3-10H,2,23H2,1H3
InChIKeyAGBGLBGVMGSISH-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.79
Rot. Bonds4

About ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate

ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 142745601) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID142745601
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Nameethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1N
InChIInChI=1S/C19H15F3N2O3/c1-2-26-18(25)15-16(13-5-3-4-6-14(13)23)27-17(24-15)11-7-9-12(10-8-11)19(20,21)22/h3-10H,2,23H2,1H3
InChIKeyAGBGLBGVMGSISH-UHFFFAOYSA-N
XLogP4.79
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate (CID 142745601) is ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1N.
What is the InChIKey of ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is AGBGLBGVMGSISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-2-26-18(25)15-16(13-5-3-4-6-14(13)23)27-17(24-15)11-7-9-12(10-8-11)19(20,21)22/h3-10H,2,23H2,1H3.
What are the key properties of ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 376.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 142745601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).