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

C15H15NO3 — CID 102401586

IUPAC(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
SMILESC#CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h1,4-8,13H,3,9-11H2/t13-/m0/s1
InChIKeyHRDVNDHDEOTDIN-ZDUSSCGKSA-N
MW257.29 g/mol
LogP1.99
Rot. Bonds4

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

(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one (PubChem CID 102401586) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
PubChem CID102401586
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one
SMILESC#CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H15NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h1,4-8,13H,3,9-11H2/t13-/m0/s1
InChIKeyHRDVNDHDEOTDIN-ZDUSSCGKSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
4-benzyl-3-(3-cyclohexylpropanoyl)-1,3-oxazolidin-2-one
CID 19797155
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one (CID 102401586) is (4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-pent-4-ynoyl-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-ynoyl-1,3-oxazolidin-2-one?
The InChIKey is HRDVNDHDEOTDIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-3-9-14(17)16-13(11-19-15(16)18)10-12-7-5-4-6-8-12/h1,4-8,13H,3,9-11H2/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-pent-4-ynoyl-1,3-oxazolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.99, 4 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-ynoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102401586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).