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

C21H15NO4 — CID 916385

IUPAC(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccccc1-c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1
InChIInChI=1S/C21H15NO4/c1-24-18-10-6-5-9-16(18)19-12-11-15(25-19)13-17-21(23)26-20(22-17)14-7-3-2-4-8-14/h2-13H,1H3/b17-13-
InChIKeyPOHASHOTFWRJLH-LGMDPLHJSA-N
MW345.35 g/mol
LogP4.30
Rot. Bonds4

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

(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 916385) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID916385
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCOc1ccccc1-c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1
InChIInChI=1S/C21H15NO4/c1-24-18-10-6-5-9-16(18)19-12-11-15(25-19)13-17-21(23)26-20(22-17)14-7-3-2-4-8-14/h2-13H,1H3/b17-13-
InChIKeyPOHASHOTFWRJLH-LGMDPLHJSA-N
XLogP4.30
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.30
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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Related Compounds

4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248
4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 1296712
(4E)-4-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 5293309
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
(4E)-4-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5369590
(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 19663628
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3109212
2-(4-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2875320
2-phenyl-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3692253
3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one
CID 919291
(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(3,5-dimethoxyphenyl)-1,3-oxazol-5-one
CID 18532725
4-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 3617505

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 916385) is (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is COc1ccccc1-c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)o1.
What is the InChIKey of (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is POHASHOTFWRJLH-LGMDPLHJSA-N. The full InChI is InChI=1S/C21H15NO4/c1-24-18-10-6-5-9-16(18)19-12-11-15(25-19)13-17-21(23)26-20(22-17)14-7-3-2-4-8-14/h2-13H,1H3/b17-13-.
What are the key properties of (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 345.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 916385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).