3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one

C24H20BrNO2 — CID 139192316

IUPAC3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(Br)=C(/c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BrNO2/c25-23(26-16-17-28-24(26)27)22(20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2/b23-22-
InChIKeyBJJTWHHJGODNSP-FCQUAONHSA-N
MW434.33 g/mol
LogP6.03
Rot. Bonds5

About 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one

3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 139192316) has the molecular formula C24H20BrNO2 and a molecular weight of 434.33 g/mol. Its IUPAC name is 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID139192316
Molecular FormulaC24H20BrNO2
Molecular Weight434.33 g/mol
Exact Mass433.07
IUPAC Name3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(Br)=C(/c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20BrNO2/c25-23(26-16-17-28-24(26)27)22(20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2/b23-22-
InChIKeyBJJTWHHJGODNSP-FCQUAONHSA-N
XLogP6.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.33
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-trityloxazolidinone
CID 53639263
3-[(Z)-2-phenyl-2-triphenylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978331
3-[(Z)-[(2S)-2-(4-bromophenyl)cyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 71469436
(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101348788
3-[(Z)-[(2S,5R)-5-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 125508766
3-[(Z)-1-chloro-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 132605301
3-[(Z)-[(2S)-3-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134946570
3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134946571
3-[(Z)-2-ethyl-4-phenylbut-1-enyl]-1,3-oxazolidin-2-one
CID 134964076
3-[(Z)-[(2S)-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 134965374
3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135061677
3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135062837

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one (CID 139192316) is 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C(Br)=C(/c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is BJJTWHHJGODNSP-FCQUAONHSA-N. The full InChI is InChI=1S/C24H20BrNO2/c25-23(26-16-17-28-24(26)27)22(20-14-8-3-9-15-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2/b23-22-.
What are the key properties of 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one?
3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 434.33 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-bromo-2,3,3-triphenylprop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139192316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).