2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol

C23H19F5N4O4 — CID 175025581

About 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol

2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol (PubChem CID 175025581) has the molecular formula C23H19F5N4O4 and a molecular weight of 510.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol
• PubChem CID: 175025581
• Molecular Formula: C23H19F5N4O4
• Molecular Weight: 510.42 g/mol
• Exact Mass: 510.13
• IUPAC Name: 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol
• SMILES: CC(OCc1cc(-c2ccc(OC(F)(F)F)cc2)no1)C(O)(Cn1cncn1)c1ccc(F)cc1F
• InChI: InChI=1S/C23H19F5N4O4/c1-14(22(33,11-32-13-29-12-30-32)19-7-4-16(24)8-20(19)25)34-10-18-9-21(31-36-18)15-2-5-17(6-3-15)35-23(26,27)28/h2-9,12-14,33H,10-11H2,1H3
• InChIKey: WLIAYBFAMJWRAM-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 95.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.42
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol?

The IUPAC name of 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol (CID 175025581) is 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol.

What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol?

The canonical SMILES for 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol is CC(OCc1cc(-c2ccc(OC(F)(F)F)cc2)no1)C(O)(Cn1cncn1)c1ccc(F)cc1F.

What is the InChIKey of 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol?

The InChIKey is WLIAYBFAMJWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N4O4/c1-14(22(33,11-32-13-29-12-30-32)19-7-4-16(24)8-20(19)25)34-10-18-9-21(31-36-18)15-2-5-17(6-3-15)35-23(26,27)28/h2-9,12-14,33H,10-11H2,1H3.

What are the key properties of 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol?

2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol has a molecular weight of 510.42 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methoxy]butan-2-ol is sourced from PubChem (CID 175025581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).