N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C23H18ClF3N10O4 — CID 155186351

About N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 155186351) has the molecular formula C23H18ClF3N10O4 and a molecular weight of 590.91 g/mol. Its IUPAC name is N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 155186351
• Molecular Formula: C23H18ClF3N10O4
• Molecular Weight: 590.91 g/mol
• Exact Mass: 590.12
• IUPAC Name: N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)Nc1ncccc1-n1cnc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)n1
• InChI: InChI=1S/C23H18ClF3N10O4/c1-12-18(34-41-33-12)21(39)30-19-15(3-2-8-28-19)37-11-29-17(31-37)10-36-22(40)35(9-16(38)23(25,26)27)20(32-36)13-4-6-14(24)7-5-13/h2-8,11,16,38H,9-10H2,1H3,(H,28,30,39)/t16-/m0/s1
• InChIKey: KQGVWHLCJSJCLN-INIZCTEOSA-N
• XLogP: 2.26
• TPSA: 171.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.91
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 155186351) is N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)Nc1ncccc1-n1cnc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)n1.

What is the InChIKey of N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is KQGVWHLCJSJCLN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H18ClF3N10O4/c1-12-18(34-41-33-12)21(39)30-19-15(3-2-8-28-19)37-11-29-17(31-37)10-36-22(40)35(9-16(38)23(25,26)27)20(32-36)13-4-6-14(24)7-5-13/h2-8,11,16,38H,9-10H2,1H3,(H,28,30,39)/t16-/m0/s1.

What are the key properties of N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 590.91 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-2-pyridinyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 155186351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).