5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

C17H12F4N4O2 — CID 45271317

IUPAC5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNc1ccccc1-c1nnc(C(=O)NCc2ccc(C(F)(F)F)c(F)c2)o1
InChIInChI=1S/C17H12F4N4O2/c18-12-7-9(5-6-11(12)17(19,20)21)8-23-14(26)16-25-24-15(27-16)10-3-1-2-4-13(10)22/h1-7H,8,22H2,(H,23,26)
InChIKeyRAPJBTRIZNJICX-UHFFFAOYSA-N
MW380.30 g/mol
LogP3.41
Rot. Bonds4

About 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide

5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 45271317) has the molecular formula C17H12F4N4O2 and a molecular weight of 380.30 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID45271317
Molecular FormulaC17H12F4N4O2
Molecular Weight380.30 g/mol
Exact Mass380.09
IUPAC Name5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESNc1ccccc1-c1nnc(C(=O)NCc2ccc(C(F)(F)F)c(F)c2)o1
InChIInChI=1S/C17H12F4N4O2/c18-12-7-9(5-6-11(12)17(19,20)21)8-23-14(26)16-25-24-15(27-16)10-3-1-2-4-13(10)22/h1-7H,8,22H2,(H,23,26)
InChIKeyRAPJBTRIZNJICX-UHFFFAOYSA-N
XLogP3.41
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-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 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide (CID 45271317) is 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is Nc1ccccc1-c1nnc(C(=O)NCc2ccc(C(F)(F)F)c(F)c2)o1.
What is the InChIKey of 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RAPJBTRIZNJICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O2/c18-12-7-9(5-6-11(12)17(19,20)21)8-23-14(26)16-25-24-15(27-16)10-3-1-2-4-13(10)22/h1-7H,8,22H2,(H,23,26).
What are the key properties of 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide?
5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 45271317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).