3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one

C21H28N2O3 — CID 102037728

IUPAC3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC(CC(=O)N1CCOC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H28N2O3/c1-2-3-4-5-6-9-16(14-20(24)23-12-13-26-21(23)25)18-15-22-19-11-8-7-10-17(18)19/h7-8,10-11,15-16,22H,2-6,9,12-14H2,1H3
InChIKeyLENDMRZVSVIIPB-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.98
Rot. Bonds9

About 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one

3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one (PubChem CID 102037728) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one
PubChem CID102037728
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCC(CC(=O)N1CCOC1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H28N2O3/c1-2-3-4-5-6-9-16(14-20(24)23-12-13-26-21(23)25)18-15-22-19-11-8-7-10-17(18)19/h7-8,10-11,15-16,22H,2-6,9,12-14H2,1H3
InChIKeyLENDMRZVSVIIPB-UHFFFAOYSA-N
XLogP4.98
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

ethyl 2-(1H-indol-3-yl)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 72671271
chloro 3-(1H-indol-3-yl)octanoate
CID 175312008
5-(1H-indol-3-yl)heptan-1-ol
CID 141488119
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-[(2R)-1-nitrohexan-2-yl]-1H-indole
CID 134964800
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
3-hydroxy-6-(hydroxymethyl)-2-[1-(1H-indol-3-yl)hexyl]pyran-4-one
CID 137373343
3-hydroxy-6-(hydroxymethyl)-2-[1-(1H-indol-3-yl)decyl]pyran-4-one;3-hydroxy-6-(hydroxymethyl)-2-[1-(1H-indol-3-yl)dodecyl]pyran-4-one;3-hydroxy-6-(hydroxymethyl)-2-[1-(1H-indol-3-yl)undecyl]pyran-4-one
CID 157309360
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one (CID 102037728) is 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one is CCCCCCCC(CC(=O)N1CCOC1=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one?
The InChIKey is LENDMRZVSVIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-3-4-5-6-9-16(14-20(24)23-12-13-26-21(23)25)18-15-22-19-11-8-7-10-17(18)19/h7-8,10-11,15-16,22H,2-6,9,12-14H2,1H3.
What are the key properties of 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one?
3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-3-yl)decanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102037728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).