(2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid

C24H27NO4 — CID 70825171

About (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid

(2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid (PubChem CID 70825171) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid
• PubChem CID: 70825171
• Molecular Formula: C24H27NO4
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.19
• IUPAC Name: (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid
• SMILES: Cc1oc(C2=CCCC=C2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@@H](C)C(=O)O
• InChI: InChI=1S/C24H27NO4/c1-15(24(26)27)20-10-8-18-14-19(9-11-21(18)20)28-13-12-22-16(2)29-23(25-22)17-6-4-3-5-7-17/h4,6-7,9,11,14-15,20H,3,5,8,10,12-13H2,1-2H3,(H,26,27)/t15-,20-/m1/s1
• InChIKey: HWUJHXXHHLVGAQ-FOIQADDNSA-N
• XLogP: 5.09
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid (CID 70825171) is (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid.

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

The canonical SMILES for (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid is Cc1oc(C2=CCCC=C2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@@H](C)C(=O)O.

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

The InChIKey is HWUJHXXHHLVGAQ-FOIQADDNSA-N. The full InChI is InChI=1S/C24H27NO4/c1-15(24(26)27)20-10-8-18-14-19(9-11-21(18)20)28-13-12-22-16(2)29-23(25-22)17-6-4-3-5-7-17/h4,6-7,9,11,14-15,20H,3,5,8,10,12-13H2,1-2H3,(H,26,27)/t15-,20-/m1/s1.

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

(2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid has a molecular weight of 393.48 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1R)-5-[2-(2-cyclohexa-1,5-dien-1-yl-5-methyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid is sourced from PubChem (CID 70825171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).