2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid

C25H26FNO4 — CID 10224123

About 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid

2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid (PubChem CID 10224123) has the molecular formula C25H26FNO4 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid.

Molecular Properties

• Compound Name: 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
• PubChem CID: 10224123
• Molecular Formula: C25H26FNO4
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.18
• IUPAC Name: 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
• SMILES: CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21
• InChI: InChI=1S/C25H26FNO4/c1-3-20(25(28)29)22-10-6-17-14-19(9-11-21(17)22)30-13-12-23-15(2)31-24(27-23)16-4-7-18(26)8-5-16/h4-5,7-9,11,14,20,22H,3,6,10,12-13H2,1-2H3,(H,28,29)
• InChIKey: HOLWSQOWERGNCR-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?

The IUPAC name of 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid (CID 10224123) is 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid.

What is the SMILES notation for 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?

The canonical SMILES for 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid is CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21.

What is the InChIKey of 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?

The InChIKey is HOLWSQOWERGNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO4/c1-3-20(25(28)29)22-10-6-17-14-19(9-11-21(17)22)30-13-12-23-15(2)31-24(27-23)16-4-7-18(26)8-5-16/h4-5,7-9,11,14,20,22H,3,6,10,12-13H2,1-2H3,(H,28,29).

What are the key properties of 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid?

2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid has a molecular weight of 423.48 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid is sourced from PubChem (CID 10224123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).