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

C25H23F3N4O5 — CID 11852760

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1-c1cc(C(=O)NCc2cc(CCO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C25H23F3N4O5/c1-13-22(15(3)36-30-13)20-11-21(23(34)29-12-19-10-17(7-8-33)31-37-19)24(35)32(14(20)2)18-6-4-5-16(9-18)25(26,27)28/h4-6,9-11,33H,7-8,12H2,1-3H3,(H,29,34)
InChIKeyCOSQTMHNLRVTHS-UHFFFAOYSA-N
MW516.48 g/mol
LogP3.89
Rot. Bonds7

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852760) has the molecular formula C25H23F3N4O5 and a molecular weight of 516.48 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11852760
Molecular FormulaC25H23F3N4O5
Molecular Weight516.48 g/mol
Exact Mass516.16
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1-c1cc(C(=O)NCc2cc(CCO)no2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C25H23F3N4O5/c1-13-22(15(3)36-30-13)20-11-21(23(34)29-12-19-10-17(7-8-33)31-37-19)24(35)32(14(20)2)18-6-4-5-16(9-18)25(26,27)28/h4-6,9-11,33H,7-8,12H2,1-3H3,(H,29,34)
InChIKeyCOSQTMHNLRVTHS-UHFFFAOYSA-N
XLogP3.89
TPSA123.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852760) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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(CCO)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-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is COSQTMHNLRVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O5/c1-13-22(15(3)36-30-13)20-11-21(23(34)29-12-19-10-17(7-8-33)31-37-19)24(35)32(14(20)2)18-6-4-5-16(9-18)25(26,27)28/h4-6,9-11,33H,7-8,12H2,1-3H3,(H,29,34).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 516.48 g/mol, XLogP of 3.89, 7 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-(2-hydroxyethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).