6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide

C22H16Cl2F6N4O4 — CID 87323758

IUPAC6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ncc1C(=O)NC1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C22H16Cl2F6N4O4/c1-10-2-15(16-6-20(38-33-16,22(28,29)30)11-3-12(23)5-13(24)4-11)31-7-14(10)18(35)32-17-8-37-34(19(17)36)9-21(25,26)27/h2-5,7,17H,6,8-9H2,1H3,(H,32,35)
InChIKeyMPCCZEUMLWRARW-UHFFFAOYSA-N
MW585.29 g/mol
LogP4.71
Rot. Bonds5

About 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide

6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide (PubChem CID 87323758) has the molecular formula C22H16Cl2F6N4O4 and a molecular weight of 585.29 g/mol. Its IUPAC name is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide
PubChem CID87323758
Molecular FormulaC22H16Cl2F6N4O4
Molecular Weight585.29 g/mol
Exact Mass584.05
IUPAC Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ncc1C(=O)NC1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C22H16Cl2F6N4O4/c1-10-2-15(16-6-20(38-33-16,22(28,29)30)11-3-12(23)5-13(24)4-11)31-7-14(10)18(35)32-17-8-37-34(19(17)36)9-21(25,26)27/h2-5,7,17H,6,8-9H2,1H3,(H,32,35)
InChIKeyMPCCZEUMLWRARW-UHFFFAOYSA-N
XLogP4.71
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide (CID 87323758) is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ncc1C(=O)NC1CON(CC(F)(F)F)C1=O.
What is the InChIKey of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide?
The InChIKey is MPCCZEUMLWRARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F6N4O4/c1-10-2-15(16-6-20(38-33-16,22(28,29)30)11-3-12(23)5-13(24)4-11)31-7-14(10)18(35)32-17-8-37-34(19(17)36)9-21(25,26)27/h2-5,7,17H,6,8-9H2,1H3,(H,32,35).
What are the key properties of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide?
6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide has a molecular weight of 585.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 87323758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).