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

IUPAC4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol
SMILESCCc1oc(-c2ccc(O)cc2)nc1CCOc1ccc2c(c1)CCC2C
InChIInChI=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
InChIKeyRTKGMCAMEVVIER-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.28
Rot. Bonds6

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 Name4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol
PubChem CID136591099
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name4-[5-ethyl-4-[2-[(1-methyl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]-1,3-oxazol-2-yl]phenol
SMILESCCc1oc(-c2ccc(O)cc2)nc1CCOc1ccc2c(c1)CCC2C
InChIInChI=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
InChIKeyRTKGMCAMEVVIER-UHFFFAOYSA-N
XLogP5.28
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).