(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one

C15H10ClNO3 — CID 5407065

IUPAC(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one
SMILESCC1=N/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)O1
InChIInChI=1S/C15H10ClNO3/c1-9-17-13(15(18)19-9)8-10-6-7-14(20-10)11-4-2-3-5-12(11)16/h2-8H,1H3/b13-8-
InChIKeyIGPWYGIOKDFTAC-JYRVWZFOSA-N
MW287.70 g/mol
LogP3.92
Rot. Bonds2

About (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one

(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one (PubChem CID 5407065) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one
PubChem CID5407065
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one
SMILESCC1=N/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)O1
InChIInChI=1S/C15H10ClNO3/c1-9-17-13(15(18)19-9)8-10-6-7-14(20-10)11-4-2-3-5-12(11)16/h2-8H,1H3/b13-8-
InChIKeyIGPWYGIOKDFTAC-JYRVWZFOSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.92
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-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one (CID 5407065) is (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one is CC1=N/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)O1.
What is the InChIKey of (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one?
The InChIKey is IGPWYGIOKDFTAC-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-9-17-13(15(18)19-9)8-10-6-7-14(20-10)11-4-2-3-5-12(11)16/h2-8H,1H3/b13-8-.
What are the key properties of (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one?
(4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one has a molecular weight of 287.70 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-methyl-1,3-oxazol-5-one is sourced from PubChem (CID 5407065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).