N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H14F6N2O3 — CID 16682022

IUPACN-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1CC(c2ccccc2C(F)(F)F)=NO1
InChIInChI=1S/C19H14F6N2O3/c20-18(21,22)14-4-2-1-3-13(14)15-9-16(30-27-15)17(28)26-10-11-5-7-12(8-6-11)29-19(23,24)25/h1-8,16H,9-10H2,(H,26,28)
InChIKeyBELAMXHBNWHZAP-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.41
Rot. Bonds5

About N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16682022) has the molecular formula C19H14F6N2O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16682022
Molecular FormulaC19H14F6N2O3
Molecular Weight432.32 g/mol
Exact Mass432.09
IUPAC NameN-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)C1CC(c2ccccc2C(F)(F)F)=NO1
InChIInChI=1S/C19H14F6N2O3/c20-18(21,22)14-4-2-1-3-13(14)15-9-16(30-27-15)17(28)26-10-11-5-7-12(8-6-11)29-19(23,24)25/h1-8,16H,9-10H2,(H,26,28)
InChIKeyBELAMXHBNWHZAP-UHFFFAOYSA-N
XLogP4.41
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16682022) is N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)C1CC(c2ccccc2C(F)(F)F)=NO1.
What is the InChIKey of N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BELAMXHBNWHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O3/c20-18(21,22)14-4-2-1-3-13(14)15-9-16(30-27-15)17(28)26-10-11-5-7-12(8-6-11)29-19(23,24)25/h1-8,16H,9-10H2,(H,26,28).
What are the key properties of N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16682022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).