5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde

C21H18N2O4 — CID 171818066

IUPAC5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2cc(CCC(=O)N3C(=O)OCC3c3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H18N2O4/c24-12-17-11-16-10-14(6-8-18(16)22-17)7-9-20(25)23-19(13-27-21(23)26)15-4-2-1-3-5-15/h1-6,8,10-12,19,22H,7,9,13H2
InChIKeyLYOOLMAIUUECHO-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.63
Rot. Bonds5

About 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde

5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde (PubChem CID 171818066) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde
PubChem CID171818066
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2cc(CCC(=O)N3C(=O)OCC3c3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H18N2O4/c24-12-17-11-16-10-14(6-8-18(16)22-17)7-9-20(25)23-19(13-27-21(23)26)15-4-2-1-3-5-15/h1-6,8,10-12,19,22H,7,9,13H2
InChIKeyLYOOLMAIUUECHO-UHFFFAOYSA-N
XLogP3.63
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138546991
4-phenyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]propanoyl]-1,3-oxazolidin-2-one
CID 144785898
3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one;toluene
CID 144917362
(4S)-3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259947
3-[5-(4-fluorophenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67259946
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70944339
dichloromethane;1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
CID 174975371
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696027
(4R)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde?
The IUPAC name of 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde (CID 171818066) is 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde is O=Cc1cc2cc(CCC(=O)N3C(=O)OCC3c3ccccc3)ccc2[nH]1.
What is the InChIKey of 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde?
The InChIKey is LYOOLMAIUUECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-12-17-11-16-10-14(6-8-18(16)22-17)7-9-20(25)23-19(13-27-21(23)26)15-4-2-1-3-5-15/h1-6,8,10-12,19,22H,7,9,13H2.
What are the key properties of 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde?
5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde has a molecular weight of 362.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]-1H-indole-2-carbaldehyde is sourced from PubChem (CID 171818066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).