4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one

C18H16N2O2 — CID 135053461

IUPAC4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O2/c21-18-20(17-11-14-8-4-5-9-16(14)19-17)15(12-22-18)10-13-6-2-1-3-7-13/h1-9,11,15,19H,10,12H2
InChIKeyDCVLLHCIYPEVSB-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.74
Rot. Bonds3

About 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one

4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 135053461) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one
PubChem CID135053461
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2ccccc2)N1c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O2/c21-18-20(17-11-14-8-4-5-9-16(14)19-17)15(12-22-18)10-13-6-2-1-3-7-13/h1-9,11,15,19H,10,12H2
InChIKeyDCVLLHCIYPEVSB-UHFFFAOYSA-N
XLogP3.74
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one (CID 135053461) is 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one is O=C1OCC(Cc2ccccc2)N1c1cc2ccccc2[nH]1.
What is the InChIKey of 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is DCVLLHCIYPEVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18-20(17-11-14-8-4-5-9-16(14)19-17)15(12-22-18)10-13-6-2-1-3-7-13/h1-9,11,15,19H,10,12H2.
What are the key properties of 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one?
4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(1H-indol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 135053461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).