3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

C12H10BrNO3 — CID 135083657

IUPAC3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cccc(Br)c1)N1CCOC1=O
InChIInChI=1S/C12H10BrNO3/c13-10-3-1-2-9(8-10)4-5-11(15)14-6-7-17-12(14)16/h1-5,8H,6-7H2/b5-4+
InChIKeyNLHSIBCSJCQZDZ-SNAWJCMRSA-N
MW296.12 g/mol
LogP2.44
Rot. Bonds2

About 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 135083657) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID135083657
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1cccc(Br)c1)N1CCOC1=O
InChIInChI=1S/C12H10BrNO3/c13-10-3-1-2-9(8-10)4-5-11(15)14-6-7-17-12(14)16/h1-5,8H,6-7H2/b5-4+
InChIKeyNLHSIBCSJCQZDZ-SNAWJCMRSA-N
XLogP2.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 135083657) is 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1cccc(Br)c1)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NLHSIBCSJCQZDZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H10BrNO3/c13-10-3-1-2-9(8-10)4-5-11(15)14-6-7-17-12(14)16/h1-5,8H,6-7H2/b5-4+.
What are the key properties of 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 296.12 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(3-bromophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135083657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).