5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione

C22H16N2O5 — CID 57073912

IUPAC5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1oc(-c2ccco2)nc1C=Cc1ccc(C=CC=C2OC(=O)NC2=O)cc1
InChIInChI=1S/C22H16N2O5/c1-14-17(23-21(28-14)19-6-3-13-27-19)12-11-16-9-7-15(8-10-16)4-2-5-18-20(25)24-22(26)29-18/h2-13H,1H3,(H,24,25,26)
InChIKeyNSABCQKGILHGEH-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.58
Rot. Bonds5

About 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione

5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 57073912) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione
PubChem CID57073912
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione
SMILESCc1oc(-c2ccco2)nc1C=Cc1ccc(C=CC=C2OC(=O)NC2=O)cc1
InChIInChI=1S/C22H16N2O5/c1-14-17(23-21(28-14)19-6-3-13-27-19)12-11-16-9-7-15(8-10-16)4-2-5-18-20(25)24-22(26)29-18/h2-13H,1H3,(H,24,25,26)
InChIKeyNSABCQKGILHGEH-UHFFFAOYSA-N
XLogP4.58
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione (CID 57073912) is 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione is Cc1oc(-c2ccco2)nc1C=Cc1ccc(C=CC=C2OC(=O)NC2=O)cc1.
What is the InChIKey of 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is NSABCQKGILHGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-14-17(23-21(28-14)19-6-3-13-27-19)12-11-16-9-7-15(8-10-16)4-2-5-18-20(25)24-22(26)29-18/h2-13H,1H3,(H,24,25,26).
What are the key properties of 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 388.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethenyl]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 57073912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).