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

C16H13NO3 — CID 5400671

IUPAC(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
SMILESCc1cccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)c1
InChIInChI=1S/C16H13NO3/c1-10-4-3-5-12(8-10)15-17-14(16(18)20-15)9-13-7-6-11(2)19-13/h3-9H,1-2H3/b14-9-
InChIKeyIXVNOOZSQRQBDU-ZROIWOOFSA-N
MW267.28 g/mol
LogP3.24
Rot. Bonds2

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

(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one (PubChem CID 5400671) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
PubChem CID5400671
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
SMILESCc1cccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)c1
InChIInChI=1S/C16H13NO3/c1-10-4-3-5-12(8-10)15-17-14(16(18)20-15)9-13-7-6-11(2)19-13/h3-9H,1-2H3/b14-9-
InChIKeyIXVNOOZSQRQBDU-ZROIWOOFSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one (CID 5400671) is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one is Cc1cccc(C2=N/C(=C\c3ccc(C)o3)C(=O)O2)c1.
What is the InChIKey of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one?
The InChIKey is IXVNOOZSQRQBDU-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-4-3-5-12(8-10)15-17-14(16(18)20-15)9-13-7-6-11(2)19-13/h3-9H,1-2H3/b14-9-.
What are the key properties of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one has a molecular weight of 267.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 5400671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).