(E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol

C23H22F3NO4 — CID 10526778

About (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol

(E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol (PubChem CID 10526778) has the molecular formula C23H22F3NO4 and a molecular weight of 433.43 g/mol. Its IUPAC name is (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol.

Molecular Properties

• Compound Name: (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol
• PubChem CID: 10526778
• Molecular Formula: C23H22F3NO4
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.15
• IUPAC Name: (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol
• SMILES: COc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc(/C(C)=C/CO)c1
• InChI: InChI=1S/C23H22F3NO4/c1-14(8-9-28)17-10-19(29-3)12-20(11-17)30-13-21-15(2)31-22(27-21)16-4-6-18(7-5-16)23(24,25)26/h4-8,10-12,28H,9,13H2,1-3H3/b14-8+
• InChIKey: SQOUKFMFAHHLPA-RIYZIHGNSA-N
• XLogP: 5.65
• TPSA: 64.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol?

The IUPAC name of (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol (CID 10526778) is (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol.

What is the SMILES notation for (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol?

The canonical SMILES for (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol is COc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc(/C(C)=C/CO)c1.

What is the InChIKey of (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol?

The InChIKey is SQOUKFMFAHHLPA-RIYZIHGNSA-N. The full InChI is InChI=1S/C23H22F3NO4/c1-14(8-9-28)17-10-19(29-3)12-20(11-17)30-13-21-15(2)31-22(27-21)16-4-6-18(7-5-16)23(24,25)26/h4-8,10-12,28H,9,13H2,1-3H3/b14-8+.

What are the key properties of (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol?

(E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol has a molecular weight of 433.43 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[3-methoxy-5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol is sourced from PubChem (CID 10526778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).