3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one

C14H16BrNO2 — CID 143865775

IUPAC3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1CN(C(C)c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C14H16BrNO2/c1-3-4-13-9-16(14(17)18-13)10(2)11-5-7-12(15)8-6-11/h3,5-8,10,13H,1,4,9H2,2H3
InChIKeyUNDOPZMOKOBNMV-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.91
Rot. Bonds4

About 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one

3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 143865775) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID143865775
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCC1CN(C(C)c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C14H16BrNO2/c1-3-4-13-9-16(14(17)18-13)10(2)11-5-7-12(15)8-6-11/h3,5-8,10,13H,1,4,9H2,2H3
InChIKeyUNDOPZMOKOBNMV-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-prop-2-enyl-3-[1-(4-sulfanylphenyl)ethyl]-1,3-oxazinan-2-one
CID 143755197
3-[1-[4-(4-fluorophenyl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
CID 90891241
3-[1-(4-bromophenyl)ethyl]-6-(2-methylprop-2-enyl)-1,3-oxazinan-2-one
CID 91027756
benzene;3-[1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 143755290
benzene;3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanamide
CID 143755741
3-[1-(4-bromophenyl)ethyl]-6-(2-methylprop-2-enyl)-1,3-oxazinan-2-one;fluorobenzene
CID 143887004
(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane
CID 158004525
3-[3-[1-(4-bromophenyl)ethyl]-2-oxo-1,3-oxazinan-6-yl]propanenitrile;fluorobenzene
CID 143755694
(5R)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 56968307
5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one
CID 145466259
3-[1-(4-chlorophenyl)ethyl]-6-(2-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755351
4-(bromomethyl)-1-[(1S)-1-(4-bromophenyl)ethyl]pyrrolidin-2-one
CID 168503355

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one (CID 143865775) is 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one is C=CCC1CN(C(C)c2ccc(Br)cc2)C(=O)O1.
What is the InChIKey of 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is UNDOPZMOKOBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-3-4-13-9-16(14(17)18-13)10(2)11-5-7-12(15)8-6-11/h3,5-8,10,13H,1,4,9H2,2H3.
What are the key properties of 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one?
3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 310.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)ethyl]-5-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143865775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).