4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol

C23H25NO3 — CID 136591099

About 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol

4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol (PubChem CID 136591099) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol.

Molecular Properties

• Compound Name: 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol
• PubChem CID: 136591099
• Molecular Formula: C23H25NO3
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.18
• IUPAC Name: 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol
• SMILES: CCc1oc(-c2ccc(O)cc2)nc1CCOc1ccc2c(c1)CCC2C
• InChI: InChI=1S/C23H25NO3/c1-3-22-21(24-23(27-22)16-6-8-18(25)9-7-16)12-13-26-19-10-11-20-15(2)4-5-17(20)14-19/h6-11,14-15,25H,3-5,12-13H2,1-2H3
• InChIKey: RTKGMCAMEVVIER-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 55.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol?

The IUPAC name of 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol (CID 136591099) is 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol.

What is the SMILES notation for 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol?

The canonical SMILES for 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol is CCc1oc(-c2ccc(O)cc2)nc1CCOc1ccc2c(c1)CCC2C.

What is the InChIKey of 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol?

The InChIKey is RTKGMCAMEVVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-22-21(24-23(27-22)16-6-8-18(25)9-7-16)12-13-26-19-10-11-20-15(2)4-5-17(20)14-19/h6-11,14-15,25H,3-5,12-13H2,1-2H3.

What are the key properties of 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol?

4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol has a molecular weight of 363.46 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol is sourced from PubChem (CID 136591099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).