(4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one

C19H13N3O3 — CID 9052309

IUPAC(4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1ccccc1C1=N/C(=C\c2cnc3ccccc3n2)C(=O)O1
InChIInChI=1S/C19H13N3O3/c1-24-17-9-5-2-6-13(17)18-22-16(19(23)25-18)10-12-11-20-14-7-3-4-8-15(14)21-12/h2-11H,1H3/b16-10-
InChIKeySGICVNXVVGPAFL-YBEGLDIGSA-N
MW331.33 g/mol
LogP2.98
Rot. Bonds3

About (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 9052309) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID9052309
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name(4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCOc1ccccc1C1=N/C(=C\c2cnc3ccccc3n2)C(=O)O1
InChIInChI=1S/C19H13N3O3/c1-24-17-9-5-2-6-13(17)18-22-16(19(23)25-18)10-12-11-20-14-7-3-4-8-15(14)21-12/h2-11H,1H3/b16-10-
InChIKeySGICVNXVVGPAFL-YBEGLDIGSA-N
XLogP2.98
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.98
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

4-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 3617505
(4E)-2-(2-methoxyphenyl)-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 56689174
(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 6952327
4-[(4-ethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2896918
(4E)-2-(2-ethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2694649
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 2647754
(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2687709
4-[(E)-[2-(2-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 5292990
4-[(3,4-diethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2865589
4-[(E)-[2-(2-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 6924900
(4E)-2-(2-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 2202841
(4Z)-2-[(E)-2-phenylethenyl]-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one
CID 9052485

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one (CID 9052309) is (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one is COc1ccccc1C1=N/C(=C\c2cnc3ccccc3n2)C(=O)O1.
What is the InChIKey of (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is SGICVNXVVGPAFL-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H13N3O3/c1-24-17-9-5-2-6-13(17)18-22-16(19(23)25-18)10-12-11-20-14-7-3-4-8-15(14)21-12/h2-11H,1H3/b16-10-.
What are the key properties of (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 331.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-methoxyphenyl)-4-(quinoxalin-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 9052309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).