2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C19H16F3N3O3 — CID 42629072

IUPAC2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1cc(C(=O)NCC(F)(F)F)ccn1
InChIInChI=1S/C19H16F3N3O3/c1-12-15(17(25-28-12)13-5-3-2-4-6-13)10-27-16-9-14(7-8-23-16)18(26)24-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,26)
InChIKeyRJYBKFKHBUDDSN-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.92
Rot. Bonds6

About 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 42629072) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID42629072
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1cc(C(=O)NCC(F)(F)F)ccn1
InChIInChI=1S/C19H16F3N3O3/c1-12-15(17(25-28-12)13-5-3-2-4-6-13)10-27-16-9-14(7-8-23-16)18(26)24-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,26)
InChIKeyRJYBKFKHBUDDSN-UHFFFAOYSA-N
XLogP3.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-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 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 42629072) is 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is Cc1onc(-c2ccccc2)c1COc1cc(C(=O)NCC(F)(F)F)ccn1.
What is the InChIKey of 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is RJYBKFKHBUDDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-12-15(17(25-28-12)13-5-3-2-4-6-13)10-27-16-9-14(7-8-23-16)18(26)24-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,24,26).
What are the key properties of 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 42629072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).