(4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one

C16H13NO4 — CID 6514060

IUPAC(4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)cc1
InChIInChI=1S/C16H13NO4/c1-10-3-6-13(20-10)9-14-16(18)21-15(17-14)11-4-7-12(19-2)8-5-11/h3-9H,1-2H3/b14-9-
InChIKeyGWKDRQUJPIINCU-ZROIWOOFSA-N
MW283.28 g/mol
LogP2.94
Rot. Bonds3

About (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one

(4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 6514060) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID6514060
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)cc1
InChIInChI=1S/C16H13NO4/c1-10-3-6-13(20-10)9-14-16(18)21-15(17-14)11-4-7-12(19-2)8-5-11/h3-9H,1-2H3/b14-9-
InChIKeyGWKDRQUJPIINCU-ZROIWOOFSA-N
XLogP2.94
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 6514060) is (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is COc1ccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)cc1.
What is the InChIKey of (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is GWKDRQUJPIINCU-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H13NO4/c1-10-3-6-13(20-10)9-14-16(18)21-15(17-14)11-4-7-12(19-2)8-5-11/h3-9H,1-2H3/b14-9-.
What are the key properties of (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 283.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6514060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).