2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one

C21H19NO5 — CID 5093002

IUPAC2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=NC(=CC=Cc3ccccc3OC)C(=O)O2)c1
InChIInChI=1S/C21H19NO5/c1-24-16-11-15(12-17(13-16)25-2)20-22-18(21(23)27-20)9-6-8-14-7-4-5-10-19(14)26-3/h4-13H,1-3H3
InChIKeyDECPCPUUVBUQIE-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.61
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one

2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 5093002) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
PubChem CID5093002
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=NC(=CC=Cc3ccccc3OC)C(=O)O2)c1
InChIInChI=1S/C21H19NO5/c1-24-16-11-15(12-17(13-16)25-2)20-22-18(21(23)27-20)9-6-8-14-7-4-5-10-19(14)26-3/h4-13H,1-3H3
InChIKeyDECPCPUUVBUQIE-UHFFFAOYSA-N
XLogP3.61
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-(3-bromophenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 6990803
2-(2-chlorophenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 3970838
(4Z)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 9313076
4-[3-(2-methoxyphenyl)prop-2-enylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
CID 5017999
2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 7963822
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313262
(4E)-2-(3,5-dinitrophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6019057
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 9313429
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
2-[2-(2,4-dichlorophenyl)ethenyl]-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one
CID 5195703
(4Z)-2-(4-methoxy-3-nitrophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6511335

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one (CID 5093002) is 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one is COc1cc(OC)cc(C2=NC(=CC=Cc3ccccc3OC)C(=O)O2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is DECPCPUUVBUQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-24-16-11-15(12-17(13-16)25-2)20-22-18(21(23)27-20)9-6-8-14-7-4-5-10-19(14)26-3/h4-13H,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one?
2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 365.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-[3-(2-methoxyphenyl)prop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 5093002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).