5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

C15H18N2O3 — CID 12898199

IUPAC5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2cccc3[nH]ccc23)OC1=O
InChIInChI=1S/C15H18N2O3/c1-10(2)17-8-11(20-15(17)18)9-19-14-5-3-4-13-12(14)6-7-16-13/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyPUQDJXYNELIERI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.78
Rot. Bonds4

About 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 12898199) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID12898199
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(COc2cccc3[nH]ccc23)OC1=O
InChIInChI=1S/C15H18N2O3/c1-10(2)17-8-11(20-15(17)18)9-19-14-5-3-4-13-12(14)6-7-16-13/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyPUQDJXYNELIERI-UHFFFAOYSA-N
XLogP2.78
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 12898199) is 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(COc2cccc3[nH]ccc23)OC1=O.
What is the InChIKey of 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PUQDJXYNELIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)17-8-11(20-15(17)18)9-19-14-5-3-4-13-12(14)6-7-16-13/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-4-yloxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12898199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).