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

C18H15F2NO3S — CID 9313528

IUPAC(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(CSC(F)F)o3)C(=O)O2)cc1C
InChIInChI=1S/C18H15F2NO3S/c1-10-3-4-12(7-11(10)2)16-21-15(17(22)24-16)8-13-5-6-14(23-13)9-25-18(19)20/h3-8,18H,9H2,1-2H3/b15-8-
InChIKeyGZIOVARSGOLMSR-NVNXTCNLSA-N
MW363.39 g/mol
LogP4.70
Rot. Bonds5

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

(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one (PubChem CID 9313528) has the molecular formula C18H15F2NO3S and a molecular weight of 363.39 g/mol. Its IUPAC name is (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one
PubChem CID9313528
Molecular FormulaC18H15F2NO3S
Molecular Weight363.39 g/mol
Exact Mass363.07
IUPAC Name(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one
SMILESCc1ccc(C2=N/C(=C\c3ccc(CSC(F)F)o3)C(=O)O2)cc1C
InChIInChI=1S/C18H15F2NO3S/c1-10-3-4-12(7-11(10)2)16-21-15(17(22)24-16)8-13-5-6-14(23-13)9-25-18(19)20/h3-8,18H,9H2,1-2H3/b15-8-
InChIKeyGZIOVARSGOLMSR-NVNXTCNLSA-N
XLogP4.70
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 9313039
(4Z)-2-(3,4-dimethylphenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 5399623
(4Z)-2-(3,4-dimethylphenyl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 6213875
(4E)-2-(3,4-dimethylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 108935903
2-(3,4-dimethylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 5033416
(4Z)-2-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 805721
(4Z)-2-(3-bromophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 6519658
4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one
CID 4262125
2-(3-iodo-4-methylphenyl)-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 4303030
4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248
(4E)-4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 805741
4-[(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 3109540

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one (CID 9313528) is (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one is Cc1ccc(C2=N/C(=C\c3ccc(CSC(F)F)o3)C(=O)O2)cc1C.
What is the InChIKey of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one?
The InChIKey is GZIOVARSGOLMSR-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H15F2NO3S/c1-10-3-4-12(7-11(10)2)16-21-15(17(22)24-16)8-13-5-6-14(23-13)9-25-18(19)20/h3-8,18H,9H2,1-2H3/b15-8-.
What are the key properties of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one has a molecular weight of 363.39 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 9313528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).