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

C18H24N2O4 — CID 4212030

IUPAC4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)C3(C)O)c2c1
InChIInChI=1S/C18H24N2O4/c1-11-13(14-10-12(23-5)6-7-15(14)19-11)8-9-20-16(21)24-17(2,3)18(20,4)22/h6-7,10,19,22H,8-9H2,1-5H3
InChIKeyHGBOWIDELJGGCL-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.97
Rot. Bonds4

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

4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 4212030) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID4212030
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)C3(C)O)c2c1
InChIInChI=1S/C18H24N2O4/c1-11-13(14-10-12(23-5)6-7-15(14)19-11)8-9-20-16(21)24-17(2,3)18(20,4)22/h6-7,10,19,22H,8-9H2,1-5H3
InChIKeyHGBOWIDELJGGCL-UHFFFAOYSA-N
XLogP2.97
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.97
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-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 4212030) is 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one is COc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)C3(C)O)c2c1.
What is the InChIKey of 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is HGBOWIDELJGGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-13(14-10-12(23-5)6-7-15(14)19-11)8-9-20-16(21)24-17(2,3)18(20,4)22/h6-7,10,19,22H,8-9H2,1-5H3.
What are the key properties of 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one?
4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4212030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).