(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

C16H10ClNO3 — CID 6048646

IUPAC(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/C(Cl)=C/c1ccccc1
InChIInChI=1S/C16H10ClNO3/c17-12(9-11-5-2-1-3-6-11)10-13-16(19)21-15(18-13)14-7-4-8-20-14/h1-10H/b12-9-,13-10+
InChIKeyAZBYDUVXHBFYAG-TVRQEHKRSA-N
MW299.71 g/mol
LogP3.75
Rot. Bonds3

About (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 6048646) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID6048646
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccco2)=N/C1=C/C(Cl)=C/c1ccccc1
InChIInChI=1S/C16H10ClNO3/c17-12(9-11-5-2-1-3-6-11)10-13-16(19)21-15(18-13)14-7-4-8-20-14/h1-10H/b12-9-,13-10+
InChIKeyAZBYDUVXHBFYAG-TVRQEHKRSA-N
XLogP3.75
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.75
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 (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 6048646) is (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is O=C1OC(c2ccco2)=N/C1=C/C(Cl)=C/c1ccccc1.
What is the InChIKey of (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is AZBYDUVXHBFYAG-TVRQEHKRSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-12(9-11-5-2-1-3-6-11)10-13-16(19)21-15(18-13)14-7-4-8-20-14/h1-10H/b12-9-,13-10+.
What are the key properties of (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 299.71 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 6048646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).