4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one

C24H28N2O4 — CID 4613311

IUPAC4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C24H28N2O4/c1-16-19(12-13-26-22(27)30-23(2,3)24(26,4)28)20-14-18(10-11-21(20)25-16)29-15-17-8-6-5-7-9-17/h5-11,14,25,28H,12-13,15H2,1-4H3
InChIKeyWWKQOXCTOXDLIB-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.54
Rot. Bonds6

About 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one

4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 4613311) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID4613311
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN1C(=O)OC(C)(C)C1(C)O
InChIInChI=1S/C24H28N2O4/c1-16-19(12-13-26-22(27)30-23(2,3)24(26,4)28)20-14-18(10-11-21(20)25-16)29-15-17-8-6-5-7-9-17/h5-11,14,25,28H,12-13,15H2,1-4H3
InChIKeyWWKQOXCTOXDLIB-UHFFFAOYSA-N
XLogP4.54
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one (CID 4613311) is 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one is Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN1C(=O)OC(C)(C)C1(C)O.
What is the InChIKey of 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is WWKQOXCTOXDLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16-19(12-13-26-22(27)30-23(2,3)24(26,4)28)20-14-18(10-11-21(20)25-16)29-15-17-8-6-5-7-9-17/h5-11,14,25,28H,12-13,15H2,1-4H3.
What are the key properties of 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one?
4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 408.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5,5-trimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4613311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).