1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione

C22H21BrN2O5 — CID 155251084

IUPAC1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCCC2=O)cc1N1C[C@H](c2cccc(Br)c2)OC1=O
InChIInChI=1S/C22H21BrN2O5/c1-29-18-9-8-14(12-25-20(26)6-3-7-21(25)27)10-17(18)24-13-19(30-22(24)28)15-4-2-5-16(23)11-15/h2,4-5,8-11,19H,3,6-7,12-13H2,1H3/t19-/m1/s1
InChIKeyNXVADZFUZJZWHN-LJQANCHMSA-N
MW473.32 g/mol
LogP4.19
Rot. Bonds5

About 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione

1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione (PubChem CID 155251084) has the molecular formula C22H21BrN2O5 and a molecular weight of 473.32 g/mol. Its IUPAC name is 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione
PubChem CID155251084
Molecular FormulaC22H21BrN2O5
Molecular Weight473.32 g/mol
Exact Mass472.06
IUPAC Name1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione
SMILESCOc1ccc(CN2C(=O)CCCC2=O)cc1N1C[C@H](c2cccc(Br)c2)OC1=O
InChIInChI=1S/C22H21BrN2O5/c1-29-18-9-8-14(12-25-20(26)6-3-7-21(25)27)10-17(18)24-13-19(30-22(24)28)15-4-2-5-16(23)11-15/h2,4-5,8-11,19H,3,6-7,12-13H2,1H3/t19-/m1/s1
InChIKeyNXVADZFUZJZWHN-LJQANCHMSA-N
XLogP4.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 83903279
1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
CID 54967272
1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 90305017
1-[(5-amino-2-methoxyphenyl)methyl]azepane-2,7-dione
CID 43447450
methyl 2-[3-[4-bromo-2-[[(5S)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]phenyl]acetate
CID 58237634
2-[3-[4-bromo-2-[[(5S)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenoxy]-4-hydroxyphenyl]acetic acid
CID 70989648
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003652
(5R)-5-(3-bromophenyl)-3-[(2R)-1-(2,4-diethoxyphenyl)butan-2-yl]-1,3-oxazolidin-2-one
CID 139747950
3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one
CID 154721473
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione?
The IUPAC name of 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione (CID 155251084) is 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione is COc1ccc(CN2C(=O)CCCC2=O)cc1N1C[C@H](c2cccc(Br)c2)OC1=O.
What is the InChIKey of 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione?
The InChIKey is NXVADZFUZJZWHN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21BrN2O5/c1-29-18-9-8-14(12-25-20(26)6-3-7-21(25)27)10-17(18)24-13-19(30-22(24)28)15-4-2-5-16(23)11-15/h2,4-5,8-11,19H,3,6-7,12-13H2,1H3/t19-/m1/s1.
What are the key properties of 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione?
1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione has a molecular weight of 473.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(5S)-5-(3-bromophenyl)-2-oxo-1,3-oxazolidin-3-yl]-4-methoxyphenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 155251084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).