5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one

C13H18N2O4 — CID 142150294

IUPAC5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C=C/CN1CC(C)OC1=O)N1CCOC1=O
InChIInChI=1S/C13H18N2O4/c1-3-11(15-7-8-18-13(15)17)5-4-6-14-9-10(2)19-12(14)16/h3-5,10H,6-9H2,1-2H3/b5-4-,11-3+
InChIKeyFEAOJJJHRBUOFI-NEPXUXLISA-N
MW266.30 g/mol
LogP1.74
Rot. Bonds4

About 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one

5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one (PubChem CID 142150294) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one
PubChem CID142150294
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one
SMILESC/C=C(\C=C/CN1CC(C)OC1=O)N1CCOC1=O
InChIInChI=1S/C13H18N2O4/c1-3-11(15-7-8-18-13(15)17)5-4-6-14-9-10(2)19-12(14)16/h3-5,10H,6-9H2,1-2H3/b5-4-,11-3+
InChIKeyFEAOJJJHRBUOFI-NEPXUXLISA-N
XLogP1.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[(E)-4-oxopent-2-enyl]-1,3-oxazolidin-2-one
CID 118400703
(5S)-5-methyl-3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)but-2-enyl]-1,3-oxazolidin-2-one
CID 59986951
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide
CID 144658188
3-[(E)-hex-4-enoyl]-1,3-oxazolidin-2-one
CID 15502915
azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate
CID 139078118
(E)-N-(disulfanyl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enamide
CID 138703308
3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 141333748
(5S)-5-methyl-3-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pent-3-enyl]-1,3-oxazolidin-2-one
CID 59986935
3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103577185
3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one
CID 91122217
3-non-8-enoyl-1,3-oxazolidin-2-one
CID 89302555

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one (CID 142150294) is 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one is C/C=C(\C=C/CN1CC(C)OC1=O)N1CCOC1=O.
What is the InChIKey of 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is FEAOJJJHRBUOFI-NEPXUXLISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-11(15-7-8-18-13(15)17)5-4-6-14-9-10(2)19-12(14)16/h3-5,10H,6-9H2,1-2H3/b5-4-,11-3+.
What are the key properties of 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one?
5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142150294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).