3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one

C15H17NO3 — CID 175209647

IUPAC3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one
SMILESC=C(CCC(=O)N1CCOC1=O)Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-12(11-13-5-3-2-4-6-13)7-8-14(17)16-9-10-19-15(16)18/h2-6H,1,7-11H2
InChIKeyQEMKDHMOUXJUQM-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.54
Rot. Bonds5

About 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one

3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one (PubChem CID 175209647) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one
PubChem CID175209647
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one
SMILESC=C(CCC(=O)N1CCOC1=O)Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-12(11-13-5-3-2-4-6-13)7-8-14(17)16-9-10-19-15(16)18/h2-6H,1,7-11H2
InChIKeyQEMKDHMOUXJUQM-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 102525452
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 8849849
3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 8804709
methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 12032170
3-[(Z)-5-[dimethyl(phenyl)silyl]hex-4-enoyl]-1,3-oxazolidin-2-one
CID 101064679
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
(8aS)-2-benzyl-8a-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-1,3,4-trione
CID 132608337
3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one
CID 141382545
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene
CID 142032857
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56582322

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one (CID 175209647) is 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one is C=C(CCC(=O)N1CCOC1=O)Cc1ccccc1.
What is the InChIKey of 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is QEMKDHMOUXJUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-12(11-13-5-3-2-4-6-13)7-8-14(17)16-9-10-19-15(16)18/h2-6H,1,7-11H2.
What are the key properties of 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one?
3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 259.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpent-4-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 175209647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).