4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one

C15H17NO3 — CID 72740960

IUPAC4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
SMILESCCC=CC(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h3-9,13H,2,10-11H2,1H3
InChIKeyPPMFEJKQNMXSEY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds4

About 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one

4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 72740960) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
PubChem CID72740960
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
SMILESCCC=CC(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h3-9,13H,2,10-11H2,1H3
InChIKeyPPMFEJKQNMXSEY-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.54
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-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358
(4S)-4-benzyl-3-(4,4-dimethylpent-2-enoyl)-1,3-oxazolidin-2-one
CID 91131954
(E,3R,4R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-dimethyl-7-oxohept-5-enal
CID 11002007
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 101241804
[(1Z,3S,5E)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-7-oxohepta-1,5-dienyl] acetate
CID 57382156
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 22228455
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
(4R)-4-benzyl-3-(2-benzylbut-2-enoyl)-1,3-oxazolidin-2-one
CID 91236625
(4R)-4-benzyl-3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
CID 12018409
(4S)-4-benzyl-3-but-2-ynoyl-1,3-oxazolidin-2-one
CID 10243489

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one (CID 72740960) is 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one is CCC=CC(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is PPMFEJKQNMXSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h3-9,13H,2,10-11H2,1H3.
What are the key properties of 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-pent-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72740960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).