1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea

C26H25F3N6O4S — CID 159942494

About 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea

1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea (PubChem CID 159942494) has the molecular formula C26H25F3N6O4S and a molecular weight of 574.59 g/mol. Its IUPAC name is 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea.

Molecular Properties

• Compound Name: 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
• PubChem CID: 159942494
• Molecular Formula: C26H25F3N6O4S
• Molecular Weight: 574.59 g/mol
• Exact Mass: 574.16
• IUPAC Name: 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea
• SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C3=NCC(=O)O3)cnc2OC2CCCCC2)cn1
• InChI: InChI=1S/C26H25F3N6O4S/c1-2-30-25(37)35-20-9-17(24-34-19(13-40-24)26(27,28)29)18(11-31-20)16-8-14(22-33-12-21(36)39-22)10-32-23(16)38-15-6-4-3-5-7-15/h8-11,13,15H,2-7,12H2,1H3,(H2,30,31,35,37)
• InChIKey: OBBCIZNLMVZAQM-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 127.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.59
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

The IUPAC name of 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea (CID 159942494) is 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea.

What is the SMILES notation for 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

The canonical SMILES for 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cc(C3=NCC(=O)O3)cnc2OC2CCCCC2)cn1.

What is the InChIKey of 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

The InChIKey is OBBCIZNLMVZAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O4S/c1-2-30-25(37)35-20-9-17(24-34-19(13-40-24)26(27,28)29)18(11-31-20)16-8-14(22-33-12-21(36)39-22)10-32-23(16)38-15-6-4-3-5-7-15/h8-11,13,15H,2-7,12H2,1H3,(H2,30,31,35,37).

What are the key properties of 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea?

1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea has a molecular weight of 574.59 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-cyclohexyloxy-5-(5-oxo-4H-1,3-oxazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 159942494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).