(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide

C15H16N2O3 — CID 99927510

IUPAC(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C15H16N2O3/c1-2-3-4-9-14(18)16-12-7-5-6-8-13(12)17-10-11-20-15(17)19/h2-9H,10-11H2,1H3,(H,16,18)/b3-2+,9-4-
InChIKeyIZGCJPIFVYGAIW-OQIXSKIXSA-N
MW272.30 g/mol
LogP2.71
Rot. Bonds4

About (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide

(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide (PubChem CID 99927510) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
PubChem CID99927510
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C15H16N2O3/c1-2-3-4-9-14(18)16-12-7-5-6-8-13(12)17-10-11-20-15(17)19/h2-9H,10-11H2,1H3,(H,16,18)/b3-2+,9-4-
InChIKeyIZGCJPIFVYGAIW-OQIXSKIXSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609625
N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 60617132
(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 60549459
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
2-[2-(hexa-2,4-dienoylamino)phenyl]acetic acid
CID 76946219
(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide
CID 11436192
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 167878865
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 72875441
1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 118780664
1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95296561
(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide
CID 47131724
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide (CID 99927510) is (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide is C/C=C/C=C\C(=O)Nc1ccccc1N1CCOC1=O.
What is the InChIKey of (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide?
The InChIKey is IZGCJPIFVYGAIW-OQIXSKIXSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-3-4-9-14(18)16-12-7-5-6-8-13(12)17-10-11-20-15(17)19/h2-9H,10-11H2,1H3,(H,16,18)/b3-2+,9-4-.
What are the key properties of (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide?
(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide has a molecular weight of 272.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 99927510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).