2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one

C18H14N2O3 — CID 3302589

IUPAC2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1ccccc1C=CC1=NC(=Cc2cccnc2)C(=O)O1
InChIInChI=1S/C18H14N2O3/c1-22-16-7-3-2-6-14(16)8-9-17-20-15(18(21)23-17)11-13-5-4-10-19-12-13/h2-12H,1H3
InChIKeyYJPXXFXMWSNUAM-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.10
Rot. Bonds4

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

2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 3302589) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
PubChem CID3302589
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1ccccc1C=CC1=NC(=Cc2cccnc2)C(=O)O1
InChIInChI=1S/C18H14N2O3/c1-22-16-7-3-2-6-14(16)8-9-17-20-15(18(21)23-17)11-13-5-4-10-19-12-13/h2-12H,1H3
InChIKeyYJPXXFXMWSNUAM-UHFFFAOYSA-N
XLogP3.10
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.10
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-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
4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 5099786
(4E)-4-(dimethylaminomethylidene)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazol-5-one
CID 915879
(4E)-2-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 108935909
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5195703
2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 3257062
(4E)-2-(2,6-dimethoxyphenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893263
[2-[(Z)-[5-oxo-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-ylidene]methyl]phenyl] 4-methoxybenzoate
CID 2279228
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540
4-[(2,5-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
CID 5218050

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one (CID 3302589) is 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is COc1ccccc1C=CC1=NC(=Cc2cccnc2)C(=O)O1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is YJPXXFXMWSNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-22-16-7-3-2-6-14(16)8-9-17-20-15(18(21)23-17)11-13-5-4-10-19-12-13/h2-12H,1H3.
What are the key properties of 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one?
2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 306.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 3302589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).