(4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one

C20H13N3O2 — CID 9052485

IUPAC(4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cnc2ccccc2n1
InChIInChI=1S/C20H13N3O2/c24-20-18(12-15-13-21-16-8-4-5-9-17(16)22-15)23-19(25-20)11-10-14-6-2-1-3-7-14/h1-13H/b11-10+,18-12-
InChIKeyFGINOMQUABTWOX-DNUBFSQISA-N
MW327.34 g/mol
LogP3.64
Rot. Bonds3

About (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 9052485) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID9052485
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name(4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cnc2ccccc2n1
InChIInChI=1S/C20H13N3O2/c24-20-18(12-15-13-21-16-8-4-5-9-17(16)22-15)23-19(25-20)11-10-14-6-2-1-3-7-14/h1-13H/b11-10+,18-12-
InChIKeyFGINOMQUABTWOX-DNUBFSQISA-N
XLogP3.64
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.64
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

(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6072081
(4Z)-4-[(4-methylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6143864
4-benzylidene-2-[2-(4-methylphenyl)ethenyl]-1,3-oxazol-5-one
CID 5056373
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6368377
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 743940
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6367904
(4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
CID 9052309
4-[(2-methoxyphenyl)methylidene]-2-(2-phenylethenyl)-1,3-oxazol-5-one
CID 4044485
4-benzylidene-2-[2-(4-nitrophenyl)ethenyl]-1,3-oxazol-5-one
CID 3377433
2-(2-phenylethenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 5017538
(4E)-2-[(E)-2-phenylethenyl]-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 6952353
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6534113

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one (CID 9052485) is (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cnc2ccccc2n1.
What is the InChIKey of (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is FGINOMQUABTWOX-DNUBFSQISA-N. The full InChI is InChI=1S/C20H13N3O2/c24-20-18(12-15-13-21-16-8-4-5-9-17(16)22-15)23-19(25-20)11-10-14-6-2-1-3-7-14/h1-13H/b11-10+,18-12-.
What are the key properties of (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 327.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 9052485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).