2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

C27H24N4O5 — CID 141391008

IUPAC2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-c3cccnc3N3CCOCC3)cc2)C(=O)O1
InChIInChI=1S/C27H24N4O5/c32-25-22-4-1-2-5-23(22)26(33)31(25)17-20-16-30(27(34)36-20)19-9-7-18(8-10-19)21-6-3-11-28-24(21)29-12-14-35-15-13-29/h1-11,20H,12-17H2/t20-/m1/s1
InChIKeyVAMLGNXKUAOKIH-HXUWFJFHSA-N
MW484.51 g/mol
LogP3.21
Rot. Bonds5

About 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (PubChem CID 141391008) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
PubChem CID141391008
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-c3cccnc3N3CCOCC3)cc2)C(=O)O1
InChIInChI=1S/C27H24N4O5/c32-25-22-4-1-2-5-23(22)26(33)31(25)17-20-16-30(27(34)36-20)19-9-7-18(8-10-19)21-6-3-11-28-24(21)29-12-14-35-15-13-29/h1-11,20H,12-17H2/t20-/m1/s1
InChIKeyVAMLGNXKUAOKIH-HXUWFJFHSA-N
XLogP3.21
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 162184019
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
2-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 59410776
2-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 58721924
2-[[(5S)-3-(5-bromo-2-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 141389337
tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
CID 69256652
2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 22447471
N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide
CID 138457877
(5R)-5-(hydroxymethyl)-3-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 69127864
5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68684728
(5S)-5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11854189
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 117063703

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (CID 141391008) is 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-c3cccnc3N3CCOCC3)cc2)C(=O)O1.
What is the InChIKey of 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is VAMLGNXKUAOKIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H24N4O5/c32-25-22-4-1-2-5-23(22)26(33)31(25)17-20-16-30(27(34)36-20)19-9-7-18(8-10-19)21-6-3-11-28-24(21)29-12-14-35-15-13-29/h1-11,20H,12-17H2/t20-/m1/s1.
What are the key properties of 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 484.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 141391008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).