1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea

C25H24F3N7O5S — CID 67289272

About 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea

1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea (PubChem CID 67289272) has the molecular formula C25H24F3N7O5S and a molecular weight of 591.57 g/mol. Its IUPAC name is 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
• PubChem CID: 67289272
• Molecular Formula: C25H24F3N7O5S
• Molecular Weight: 591.57 g/mol
• Exact Mass: 591.15
• IUPAC Name: 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
• SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2OCC2CCOCC2)cn1
• InChI: InChI=1S/C25H24F3N7O5S/c1-2-29-23(36)33-19-8-16(22-32-18(12-41-22)25(26,27)28)17(10-30-19)15-7-14(20-34-35-24(37)40-20)9-31-21(15)39-11-13-3-5-38-6-4-13/h7-10,12-13H,2-6,11H2,1H3,(H,35,37)(H2,29,30,33,36)
• InChIKey: UDOGCVSALKYDHU-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 157.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.57
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

The IUPAC name of 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea (CID 67289272) is 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea.

What is the SMILES notation for 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

The canonical SMILES for 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(-c3n[nH]c(=O)o3)cnc2OCC2CCOCC2)cn1.

What is the InChIKey of 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

The InChIKey is UDOGCVSALKYDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O5S/c1-2-29-23(36)33-19-8-16(22-32-18(12-41-22)25(26,27)28)17(10-30-19)15-7-14(20-34-35-24(37)40-20)9-31-21(15)39-11-13-3-5-38-6-4-13/h7-10,12-13H,2-6,11H2,1H3,(H,35,37)(H2,29,30,33,36).

What are the key properties of 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea?

1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea has a molecular weight of 591.57 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[5-[2-(oxan-4-ylmethoxy)-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea is sourced from PubChem (CID 67289272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).