(4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one

C15H17NO3 — CID 10491506

IUPAC(4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h2,4-8,13H,1,3,9-11H2/t13-/m0/s1
InChIKeyVKEZZGBUHSYSJM-ZDUSSCGKSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds5

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

(4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one (PubChem CID 10491506) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one
PubChem CID10491506
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h2,4-8,13H,1,3,9-11H2/t13-/m0/s1
InChIKeyVKEZZGBUHSYSJM-ZDUSSCGKSA-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 ≤ 500259.31
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one (CID 10491506) is (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one is C=CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one?
The InChIKey is VKEZZGBUHSYSJM-ZDUSSCGKSA-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/h2,4-8,13H,1,3,9-11H2/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one has a molecular weight of 259.31 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 (4S)-4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10491506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).