1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C30H26F3NO5 — CID 51352008

About 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 51352008) has the molecular formula C30H26F3NO5 and a molecular weight of 537.53 g/mol. Its IUPAC name is 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
• PubChem CID: 51352008
• Molecular Formula: C30H26F3NO5
• Molecular Weight: 537.53 g/mol
• Exact Mass: 537.18
• IUPAC Name: 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
• SMILES: Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1C(O)COCc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C30H26F3NO5/c1-18-26(25(35)17-38-16-19-3-2-4-24(15-19)30(31,32)33)27(39-34-18)22-7-5-20(6-8-22)21-9-11-23(12-10-21)29(13-14-29)28(36)37/h2-12,15,25,35H,13-14,16-17H2,1H3,(H,36,37)
• InChIKey: LCJFUOLRVPEFTO-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.53
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 51352008) is 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1C(O)COCc1cccc(C(F)(F)F)c1.

What is the InChIKey of 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

The InChIKey is LCJFUOLRVPEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3NO5/c1-18-26(25(35)17-38-16-19-3-2-4-24(15-19)30(31,32)33)27(39-34-18)22-7-5-20(6-8-22)21-9-11-23(12-10-21)29(13-14-29)28(36)37/h2-12,15,25,35H,13-14,16-17H2,1H3,(H,36,37).

What are the key properties of 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?

1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 537.53 g/mol, XLogP of 6.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[4-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methoxy]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51352008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).