2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one

C19H15Cl2F6N7O2 — CID 3753476

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one (PubChem CID 3753476) has the molecular formula C19H15Cl2F6N7O2 and a molecular weight of 558.27 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one.

Molecular Properties

• Compound Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one
• PubChem CID: 3753476
• Molecular Formula: C19H15Cl2F6N7O2
• Molecular Weight: 558.27 g/mol
• Exact Mass: 557.06
• IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one
• SMILES: CC1(C2=NOC(CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1
• InChI: InChI=1S/C19H15Cl2F6N7O2/c1-17(31-16(35)34(33-17)15-12(21)3-9(6-30-15)19(25,26)27)13-4-10(36-32-13)7-29-14-11(20)2-8(5-28-14)18(22,23)24/h2-3,5-6,10,33H,4,7H2,1H3,(H,28,29)(H,31,35)
• InChIKey: HNRFWQUBLBZFJG-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 103.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.27
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one?

The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one (CID 3753476) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one.

What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one?

The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one is CC1(C2=NOC(CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1.

What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one?

The InChIKey is HNRFWQUBLBZFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F6N7O2/c1-17(31-16(35)34(33-17)15-12(21)3-9(6-30-15)19(25,26)27)13-4-10(36-32-13)7-29-14-11(20)2-8(5-28-14)18(22,23)24/h2-3,5-6,10,33H,4,7H2,1H3,(H,28,29)(H,31,35).

What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one?

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one has a molecular weight of 558.27 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-1,2,4-triazolidin-3-one is sourced from PubChem (CID 3753476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).