(4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one

C15H16N2O3 — CID 915879

IUPAC(4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C/C1=N/C(=C/N(C)C)C(=O)O1
InChIInChI=1S/C15H16N2O3/c1-17(2)10-12-15(18)20-14(16-12)9-8-11-6-4-5-7-13(11)19-3/h4-10H,1-3H3/b9-8+,12-10+
InChIKeyLTRBEDXMFGOKQZ-CDKJVOIVSA-N
MW272.30 g/mol
LogP2.07
Rot. Bonds4

About (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one

(4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one (PubChem CID 915879) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
PubChem CID915879
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
SMILESCOc1ccccc1/C=C/C1=N/C(=C/N(C)C)C(=O)O1
InChIInChI=1S/C15H16N2O3/c1-17(2)10-12-15(18)20-14(16-12)9-8-11-6-4-5-7-13(11)19-3/h4-10H,1-3H3/b9-8+,12-10+
InChIKeyLTRBEDXMFGOKQZ-CDKJVOIVSA-N
XLogP2.07
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 5099786
4-[(4-bromophenyl)methylidene]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 6990000
(4Z)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6039777
4-[(2-methoxyphenyl)methylidene]-2-(2-phenylethenyl)-1,3-oxazol-5-one
CID 4044485
2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 3302589
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5195703
4-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
CID 5218050
2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5093002
2-(2-chlorophenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 3970838
[2-[(Z)-[5-oxo-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methoxybenzoate
CID 2279228
(4Z)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 9313076
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one (CID 915879) is (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one is COc1ccccc1/C=C/C1=N/C(=C/N(C)C)C(=O)O1.
What is the InChIKey of (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one?
The InChIKey is LTRBEDXMFGOKQZ-CDKJVOIVSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(2)10-12-15(18)20-14(16-12)9-8-11-6-4-5-7-13(11)19-3/h4-10H,1-3H3/b9-8+,12-10+.
What are the key properties of (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one?
(4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one has a molecular weight of 272.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one is sourced from PubChem (CID 915879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).