N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C19H15F3N2O2 — CID 84553366

IUPACN-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1
InChIInChI=1S/C19H15F3N2O2/c1-2-24(15-6-4-3-5-7-15)18(25)16-12-26-17(23-16)13-8-10-14(11-9-13)19(20,21)22/h3-12H,2H2,1H3
InChIKeyBWNIRTSAVWQUFL-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.03
Rot. Bonds4

About N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84553366) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84553366
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC NameN-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1
InChIInChI=1S/C19H15F3N2O2/c1-2-24(15-6-4-3-5-7-15)18(25)16-12-26-17(23-16)13-8-10-14(11-9-13)19(20,21)22/h3-12H,2H2,1H3
InChIKeyBWNIRTSAVWQUFL-UHFFFAOYSA-N
XLogP5.03
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 84553366) is N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CCN(C(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BWNIRTSAVWQUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-2-24(15-6-4-3-5-7-15)18(25)16-12-26-17(23-16)13-8-10-14(11-9-13)19(20,21)22/h3-12H,2H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).