(4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one

C15H17NO3 — CID 10923238

IUPAC(4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C15H17NO3/c1-3-4-10-13(17)16-11(2)14(19-15(16)18)12-8-6-5-7-9-12/h3,5-9,11,14H,1,4,10H2,2H3/t11-,14-/m1/s1
InChIKeyCUVFGKBHPSCCMZ-BXUZGUMPSA-N
MW259.31 g/mol
LogP3.06
Rot. Bonds4

About (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 10923238) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID10923238
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C15H17NO3/c1-3-4-10-13(17)16-11(2)14(19-15(16)18)12-8-6-5-7-9-12/h3,5-9,11,14H,1,4,10H2,2H3/t11-,14-/m1/s1
InChIKeyCUVFGKBHPSCCMZ-BXUZGUMPSA-N
XLogP3.06
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 ≤ 53.06
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 (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one (CID 10923238) is (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one is C=CCCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CUVFGKBHPSCCMZ-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-4-10-13(17)16-11(2)14(19-15(16)18)12-8-6-5-7-9-12/h3,5-9,11,14H,1,4,10H2,2H3/t11-,14-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-3-pent-4-enoyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10923238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).