2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid

C24H23NO4 — CID 10110882

About 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid (PubChem CID 10110882) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
• PubChem CID: 10110882
• Molecular Formula: C24H23NO4
• Molecular Weight: 389.45 g/mol
• Exact Mass: 389.16
• IUPAC Name: 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1CCC=C2CC(=O)O
• InChI: InChI=1S/C24H23NO4/c1-16-21(25-24(29-16)17-7-3-2-4-8-17)13-14-28-22-12-6-10-19-18(15-23(26)27)9-5-11-20(19)22/h2-4,6-10,12H,5,11,13-15H2,1H3,(H,26,27)
• InChIKey: QEZIDEHXGXLSRU-UHFFFAOYSA-N
• XLogP: 5.08
• 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	389.45
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid?

The IUPAC name of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid (CID 10110882) is 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid.

What is the SMILES notation for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid?

The canonical SMILES for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1CCC=C2CC(=O)O.

What is the InChIKey of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid?

The InChIKey is QEZIDEHXGXLSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-21(25-24(29-16)17-7-3-2-4-8-17)13-14-28-22-12-6-10-19-18(15-23(26)27)9-5-11-20(19)22/h2-4,6-10,12H,5,11,13-15H2,1H3,(H,26,27).

What are the key properties of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid?

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid has a molecular weight of 389.45 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid is sourced from PubChem (CID 10110882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).