5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one

C23H24FN3O6 — CID 90844039

IUPAC5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COC2CC2)CN1c1ccc(NCCON2C(=O)c3ccccc3C2O)c(F)c1
InChIInChI=1S/C23H24FN3O6/c24-19-11-14(26-12-16(33-23(26)30)13-31-15-6-7-15)5-8-20(19)25-9-10-32-27-21(28)17-3-1-2-4-18(17)22(27)29/h1-5,8,11,15-16,21,25,28H,6-7,9-10,12-13H2
InChIKeyJZDPPIPWLDMCIP-UHFFFAOYSA-N
MW457.46 g/mol
LogP2.82
Rot. Bonds9

About 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one

5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 90844039) has the molecular formula C23H24FN3O6 and a molecular weight of 457.46 g/mol. Its IUPAC name is 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID90844039
Molecular FormulaC23H24FN3O6
Molecular Weight457.46 g/mol
Exact Mass457.16
IUPAC Name5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COC2CC2)CN1c1ccc(NCCON2C(=O)c3ccccc3C2O)c(F)c1
InChIInChI=1S/C23H24FN3O6/c24-19-11-14(26-12-16(33-23(26)30)13-31-15-6-7-15)5-8-20(19)25-9-10-32-27-21(28)17-3-1-2-4-18(17)22(27)29/h1-5,8,11,15-16,21,25,28H,6-7,9-10,12-13H2
InChIKeyJZDPPIPWLDMCIP-UHFFFAOYSA-N
XLogP2.82
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58361767
5-(aminomethyl)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1,3-oxazolidin-2-one
CID 123193318
3-[4-(2-ethoxyethylamino)-3-fluorophenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 90929049
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 58361744
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
5-chloro-N-[[(5S)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 163521025
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
2-[3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]ethyl methanesulfonate
CID 87281379
[[(5R)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl-heptanoylamino] heptanoate
CID 166688078
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
tert-butyl 4-[2-fluoro-4-[5-(methylsulfonyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 21462626

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one (CID 90844039) is 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one is O=C1OC(COC2CC2)CN1c1ccc(NCCON2C(=O)c3ccccc3C2O)c(F)c1.
What is the InChIKey of 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JZDPPIPWLDMCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O6/c24-19-11-14(26-12-16(33-23(26)30)13-31-15-6-7-15)5-8-20(19)25-9-10-32-27-21(28)17-3-1-2-4-18(17)22(27)29/h1-5,8,11,15-16,21,25,28H,6-7,9-10,12-13H2.
What are the key properties of 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one?
5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 457.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropyloxymethyl)-3-[3-fluoro-4-[2-[(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxy]ethylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90844039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).