4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one

C14H15NO3 — CID 6383358

IUPAC4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11/h2-8,12H,9-10H2,1H3/b6-2+
InChIKeyUTZAFVPPWUIPBH-QHHAFSJGSA-N
MW245.28 g/mol
LogP2.15
Rot. Bonds3

About 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 6383358) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID6383358
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11/h2-8,12H,9-10H2,1H3/b6-2+
InChIKeyUTZAFVPPWUIPBH-QHHAFSJGSA-N
XLogP2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.15
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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Related Compounds

4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
CID 72740960
(4S)-4-benzyl-3-(4,4-dimethylpent-2-enoyl)-1,3-oxazolidin-2-one
CID 91131954
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one
CID 91236625
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 22228455
(E,3R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-dimethyl-7-oxohept-5-enal
CID 11002007
(4R)-4-benzyl-3-[(E)-2-[(1S)-1-hydroxyethyl]but-2-enoyl]-1,3-oxazolidin-2-one
CID 123710125
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
(4S)-4-benzyl-3-but-2-ynoyl-1,3-oxazolidin-2-one
CID 10243489
4-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxoprop-1-enyl]benzonitrile
CID 67211799

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one (CID 6383358) is 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one is C/C=C/C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is UTZAFVPPWUIPBH-QHHAFSJGSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11/h2-8,12H,9-10H2,1H3/b6-2+.
What are the key properties of 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 6383358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).