N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

C19H18FN3O3 — CID 56870200

IUPACN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H18FN3O3/c1-11-7-12(2)23(3)19(25)17(11)18(24)21-10-15-9-16(22-26-15)13-5-4-6-14(20)8-13/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyXPIHXLBJYAAAGN-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.73
Rot. Bonds4

About N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 56870200) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID56870200
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C19H18FN3O3/c1-11-7-12(2)23(3)19(25)17(11)18(24)21-10-15-9-16(22-26-15)13-5-4-6-14(20)8-13/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyXPIHXLBJYAAAGN-UHFFFAOYSA-N
XLogP2.73
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-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-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (CID 56870200) is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is XPIHXLBJYAAAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-7-12(2)23(3)19(25)17(11)18(24)21-10-15-9-16(22-26-15)13-5-4-6-14(20)8-13/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56870200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).