3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one

C19H17NO3 — CID 21180826

IUPAC3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C19H17NO3/c21-18(10-9-15-5-2-1-3-6-15)17-8-4-7-16(13-17)14-20-11-12-23-19(20)22/h1-10,13H,11-12,14H2/b10-9+
InChIKeyHWEDERPELRBTHD-MDZDMXLPSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds5

About 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one

3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 21180826) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID21180826
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C19H17NO3/c21-18(10-9-15-5-2-1-3-6-15)17-8-4-7-16(13-17)14-20-11-12-23-19(20)22/h1-10,13H,11-12,14H2/b10-9+
InChIKeyHWEDERPELRBTHD-MDZDMXLPSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one (CID 21180826) is 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccccc1)c1cccc(CN2CCOC2=O)c1.
What is the InChIKey of 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is HWEDERPELRBTHD-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17NO3/c21-18(10-9-15-5-2-1-3-6-15)17-8-4-7-16(13-17)14-20-11-12-23-19(20)22/h1-10,13H,11-12,14H2/b10-9+.
What are the key properties of 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one?
3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(E)-3-phenylprop-2-enoyl]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 21180826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).