3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid

C30H25F3N4O5 — CID 69421854

About 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid

3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid (PubChem CID 69421854) has the molecular formula C30H25F3N4O5 and a molecular weight of 578.55 g/mol. Its IUPAC name is 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid
• PubChem CID: 69421854
• Molecular Formula: C30H25F3N4O5
• Molecular Weight: 578.55 g/mol
• Exact Mass: 578.18
• IUPAC Name: 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(Oc3ccc(C(F)(F)F)cn3)n2)cc1
• InChI: InChI=1S/C30H25F3N4O5/c1-19-25(35-28(41-19)21-5-3-2-4-6-21)18-40-24-11-7-20(8-12-24)16-37-17-22(9-14-27(38)39)29(36-37)42-26-13-10-23(15-34-26)30(31,32)33/h2-8,10-13,15,17H,9,14,16,18H2,1H3,(H,38,39)
• InChIKey: YWZXFGSYPAPDDX-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 112.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.55
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid?

The IUPAC name of 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid (CID 69421854) is 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid.

What is the SMILES notation for 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid?

The canonical SMILES for 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(Cn2cc(CCC(=O)O)c(Oc3ccc(C(F)(F)F)cn3)n2)cc1.

What is the InChIKey of 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid?

The InChIKey is YWZXFGSYPAPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O5/c1-19-25(35-28(41-19)21-5-3-2-4-6-21)18-40-24-11-7-20(8-12-24)16-37-17-22(9-14-27(38)39)29(36-37)42-26-13-10-23(15-34-26)30(31,32)33/h2-8,10-13,15,17H,9,14,16,18H2,1H3,(H,38,39).

What are the key properties of 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid?

3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid has a molecular weight of 578.55 g/mol, XLogP of 6.70, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 69421854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).