5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H21F3N4O5 — CID 11852974

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1-c1cc(C(=O)NCc2cc(CO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H21F3N4O5/c1-12-21(14(3)35-29-12)19-9-20(22(33)28-10-18-8-16(11-32)30-36-18)23(34)31(13(19)2)17-6-4-5-15(7-17)24(25,26)27/h4-9,32H,10-11H2,1-3H3,(H,28,33)
InChIKeyDAYWDQZBIGYIFL-UHFFFAOYSA-N
MW502.45 g/mol
LogP3.85
Rot. Bonds6

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852974) has the molecular formula C24H21F3N4O5 and a molecular weight of 502.45 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852974
Molecular FormulaC24H21F3N4O5
Molecular Weight502.45 g/mol
Exact Mass502.15
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1-c1cc(C(=O)NCc2cc(CO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C24H21F3N4O5/c1-12-21(14(3)35-29-12)19-9-20(22(33)28-10-18-8-16(11-32)30-36-18)23(34)31(13(19)2)17-6-4-5-15(7-17)24(25,26)27/h4-9,32H,10-11H2,1-3H3,(H,28,33)
InChIKeyDAYWDQZBIGYIFL-UHFFFAOYSA-N
XLogP3.85
TPSA123.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852974) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1noc(C)c1-c1cc(C(=O)NCc2cc(CO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is DAYWDQZBIGYIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O5/c1-12-21(14(3)35-29-12)19-9-20(22(33)28-10-18-8-16(11-32)30-36-18)23(34)31(13(19)2)17-6-4-5-15(7-17)24(25,26)27/h4-9,32H,10-11H2,1-3H3,(H,28,33).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 502.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(hydroxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).