4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline

C15H10F3N3O — CID 57465378

IUPAC4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccncc3)c(C(F)(F)F)o2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)13-12(9-5-7-20-8-6-9)21-14(22-13)10-1-3-11(19)4-2-10/h1-8H,19H2
InChIKeyHPHKWDHAIKMYRB-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.00
Rot. Bonds2

About 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline

4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline (PubChem CID 57465378) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline
PubChem CID57465378
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccncc3)c(C(F)(F)F)o2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)13-12(9-5-7-20-8-6-9)21-14(22-13)10-1-3-11(19)4-2-10/h1-8H,19H2
InChIKeyHPHKWDHAIKMYRB-UHFFFAOYSA-N
XLogP4.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline 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 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline?
The IUPAC name of 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline (CID 57465378) is 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline.
What is the SMILES notation for 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline?
The canonical SMILES for 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline is Nc1ccc(-c2nc(-c3ccncc3)c(C(F)(F)F)o2)cc1.
What is the InChIKey of 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline?
The InChIKey is HPHKWDHAIKMYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)13-12(9-5-7-20-8-6-9)21-14(22-13)10-1-3-11(19)4-2-10/h1-8H,19H2.
What are the key properties of 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline?
4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline has a molecular weight of 305.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-oxazol-2-yl]aniline is sourced from PubChem (CID 57465378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).