N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

C25H19F4N5O3 — CID 156906614

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C25H19F4N5O3/c26-18-5-1-3-16(11-18)8-10-31-23(35)22(17-4-2-9-30-12-17)34(24(36)20-14-37-15-33-20)19-6-7-21(32-13-19)25(27,28)29/h1-7,9,11-15,22H,8,10H2,(H,31,35)
InChIKeyCVMGGVMKMCBKDJ-UHFFFAOYSA-N
MW513.45 g/mol
LogP4.37
Rot. Bonds8

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906614) has the molecular formula C25H19F4N5O3 and a molecular weight of 513.45 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID156906614
Molecular FormulaC25H19F4N5O3
Molecular Weight513.45 g/mol
Exact Mass513.14
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C25H19F4N5O3/c26-18-5-1-3-16(11-18)8-10-31-23(35)22(17-4-2-9-30-12-17)34(24(36)20-14-37-15-33-20)19-6-7-21(32-13-19)25(27,28)29/h1-7,9,11-15,22H,8,10H2,(H,31,35)
InChIKeyCVMGGVMKMCBKDJ-UHFFFAOYSA-N
XLogP4.37
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-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 N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 156906614) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CVMGGVMKMCBKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5O3/c26-18-5-1-3-16(11-18)8-10-31-23(35)22(17-4-2-9-30-12-17)34(24(36)20-14-37-15-33-20)19-6-7-21(32-13-19)25(27,28)29/h1-7,9,11-15,22H,8,10H2,(H,31,35).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 513.45 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).