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

C14H9F2NO3S2 — CID 9313039

IUPAC(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccs2)=N/C1=C\c1ccc(CSC(F)F)o1
InChIInChI=1S/C14H9F2NO3S2/c15-14(16)22-7-9-4-3-8(19-9)6-10-13(18)20-12(17-10)11-2-1-5-21-11/h1-6,14H,7H2/b10-6-
InChIKeyNMZRBRKIJVIOCH-POHAHGRESA-N
MW341.36 g/mol
LogP4.14
Rot. Bonds5

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

(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (PubChem CID 9313039) has the molecular formula C14H9F2NO3S2 and a molecular weight of 341.36 g/mol. Its IUPAC name is (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
PubChem CID9313039
Molecular FormulaC14H9F2NO3S2
Molecular Weight341.36 g/mol
Exact Mass341.00
IUPAC Name(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccs2)=N/C1=C\c1ccc(CSC(F)F)o1
InChIInChI=1S/C14H9F2NO3S2/c15-14(16)22-7-9-4-3-8(19-9)6-10-13(18)20-12(17-10)11-2-1-5-21-11/h1-6,14H,7H2/b10-6-
InChIKeyNMZRBRKIJVIOCH-POHAHGRESA-N
XLogP4.14
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one
CID 9313528
(4Z)-4-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 1354036
(4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 7963728
(4Z)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 9313022
(4Z)-4-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 1297116
(4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 6104686
(4Z)-4-[(5-fluoro-3-pyridinyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 58533671
4-[(4-chlorophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3678318
(4E)-4-[(4-methylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 6368940
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2365519
4-[(4-nitrophenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 3877300
(4Z)-4-[(4-prop-2-enoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2199451

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one (CID 9313039) is (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is O=C1OC(c2cccs2)=N/C1=C\c1ccc(CSC(F)F)o1.
What is the InChIKey of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
The InChIKey is NMZRBRKIJVIOCH-POHAHGRESA-N. The full InChI is InChI=1S/C14H9F2NO3S2/c15-14(16)22-7-9-4-3-8(19-9)6-10-13(18)20-12(17-10)11-2-1-5-21-11/h1-6,14H,7H2/b10-6-.
What are the key properties of (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one?
(4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one has a molecular weight of 341.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 9313039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).