(4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one

C13H13NO2 — CID 108936008

IUPAC(4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCC1=N/C(=C\c2ccccc2C)C(=O)O1
InChIInChI=1S/C13H13NO2/c1-3-12-14-11(13(15)16-12)8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3/b11-8-
InChIKeyGSADOQXVAIOUKE-FLIBITNWSA-N
MW215.25 g/mol
LogP2.70
Rot. Bonds2

About (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one

(4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 108936008) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID108936008
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCC1=N/C(=C\c2ccccc2C)C(=O)O1
InChIInChI=1S/C13H13NO2/c1-3-12-14-11(13(15)16-12)8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3/b11-8-
InChIKeyGSADOQXVAIOUKE-FLIBITNWSA-N
XLogP2.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-[2-(2-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936034
(4E)-2-ethyl-4-[(4-methoxy-3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937200
2-(4-bromophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4114586
(4Z)-2-(2-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 687443
(4E)-4-[(3-chlorophenyl)methylidene]-2-ethyl-1,3-oxazol-5-one
CID 108936344
(4E)-2-ethyl-4-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937103
(4Z)-4-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methylidene]-2-ethyl-1,3-oxazol-5-one
CID 126005548
(4E)-4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 6927604
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(2-methylphenyl)ethyl]-1,3-oxazol-5-one
CID 108936444
(4Z)-2-butyl-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 155424545
(4E)-2-[2-(2-methylphenyl)ethyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 108935913
4-[(2-butoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 4203564

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 108936008) is (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one is CCC1=N/C(=C\c2ccccc2C)C(=O)O1.
What is the InChIKey of (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is GSADOQXVAIOUKE-FLIBITNWSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-12-14-11(13(15)16-12)8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3/b11-8-.
What are the key properties of (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 215.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 108936008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).