3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione

C18H22N2O5 — CID 162504409

IUPAC3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
SMILESCC(C)(C)Oc1ccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)cc1
InChIInChI=1S/C18H22N2O5/c1-18(2,3)25-12-6-4-11(5-7-12)14-10-20(17(23)24-14)13-8-9-15(21)19-16(13)22/h4-7,13-14H,8-10H2,1-3H3,(H,19,21,22)/t13?,14-/m1/s1
InChIKeyXDFWIIGTYKFMAB-ARLHGKGLSA-N
MW346.38 g/mol
LogP2.16
Rot. Bonds3

About 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione

3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione (PubChem CID 162504409) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
PubChem CID162504409
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
SMILESCC(C)(C)Oc1ccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)cc1
InChIInChI=1S/C18H22N2O5/c1-18(2,3)25-12-6-4-11(5-7-12)14-10-20(17(23)24-14)13-8-9-15(21)19-16(13)22/h4-7,13-14H,8-10H2,1-3H3,(H,19,21,22)/t13?,14-/m1/s1
InChIKeyXDFWIIGTYKFMAB-ARLHGKGLSA-N
XLogP2.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 151819661
3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 163697786
tert-butyl N-[[(2S)-4-[3-[4-[(5S)-3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]prop-2-ynyl]morpholin-2-yl]methyl]carbamate
CID 138695549
tert-butyl 3-[5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dioxopiperidine-1-carboxylate;tert-butyl 3-[5-(4-methylphenyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dioxopiperidine-1-carboxylate
CID 167629372
4-[4-[3-[(5S)-3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]but-3-ynyl]benzenesulfonic acid
CID 166784354
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidine-1-carboxylate
CID 171098309
3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 156795515
tert-butyl 2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]acetate
CID 178169099
tert-butyl 4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 172592088
tert-butyl 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 172592325
tert-butyl 1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidine-4-carboxylate
CID 170437347
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione (CID 162504409) is 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione is CC(C)(C)Oc1ccc([C@H]2CN(C3CCC(=O)NC3=O)C(=O)O2)cc1.
What is the InChIKey of 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
The InChIKey is XDFWIIGTYKFMAB-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(2,3)25-12-6-4-11(5-7-12)14-10-20(17(23)24-14)13-8-9-15(21)19-16(13)22/h4-7,13-14H,8-10H2,1-3H3,(H,19,21,22)/t13?,14-/m1/s1.
What are the key properties of 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione?
3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione has a molecular weight of 346.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 162504409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).