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

C14H7Cl2NO3 — CID 5351262

IUPAC(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl2NO3/c15-9-4-3-8(6-10(9)16)7-11-14(18)20-13(17-11)12-2-1-5-19-12/h1-7H/b11-7-
InChIKeyDLQGKIOQLWXJIL-XFFZJAGNSA-N
MW308.12 g/mol
LogP3.93
Rot. Bonds2

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

(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 5351262) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID5351262
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl2NO3/c15-9-4-3-8(6-10(9)16)7-11-14(18)20-13(17-11)12-2-1-5-19-12/h1-7H/b11-7-
InChIKeyDLQGKIOQLWXJIL-XFFZJAGNSA-N
XLogP3.93
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.93
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-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 5351262) is (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is DLQGKIOQLWXJIL-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-9-4-3-8(6-10(9)16)7-11-14(18)20-13(17-11)12-2-1-5-19-12/h1-7H/b11-7-.
What are the key properties of (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 308.12 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 5351262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).