5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid

C30H26ClF3N4O6 — CID 135258523

About 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid

5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid (PubChem CID 135258523) has the molecular formula C30H26ClF3N4O6 and a molecular weight of 631.01 g/mol. Its IUPAC name is 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
• PubChem CID: 135258523
• Molecular Formula: C30H26ClF3N4O6
• Molecular Weight: 631.01 g/mol
• Exact Mass: 630.15
• IUPAC Name: 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
• SMILES: CC(C)n1nc(C(=O)O)cc1C1=NOC(c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2Cl)C1
• InChI: InChI=1S/C30H26ClF3N4O6/c1-15(2)38-24(12-23(35-38)29(39)40)22-13-26(43-36-22)18-10-9-17(11-21(18)31)41-14-20-27(37-44-28(20)16-7-8-16)19-5-3-4-6-25(19)42-30(32,33)34/h3-6,9-12,15-16,26H,7-8,13-14H2,1-2H3,(H,39,40)
• InChIKey: RYZZVCSFPXRYAL-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 121.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.01
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?

The IUPAC name of 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid (CID 135258523) is 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid.

What is the SMILES notation for 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?

The canonical SMILES for 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid is CC(C)n1nc(C(=O)O)cc1C1=NOC(c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)cc2Cl)C1.

What is the InChIKey of 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?

The InChIKey is RYZZVCSFPXRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClF3N4O6/c1-15(2)38-24(12-23(35-38)29(39)40)22-13-26(43-36-22)18-10-9-17(11-21(18)31)41-14-20-27(37-44-28(20)16-7-8-16)19-5-3-4-6-25(19)42-30(32,33)34/h3-6,9-12,15-16,26H,7-8,13-14H2,1-2H3,(H,39,40).

What are the key properties of 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?

5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid has a molecular weight of 631.01 g/mol, XLogP of 7.69, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 135258523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).