(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

C15H9F2NO4 — CID 17479270

IUPAC(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1ccco1
InChIInChI=1S/C15H9F2NO4/c16-15(17)21-12-6-2-1-5-10(12)13-18-11(14(19)22-13)8-9-4-3-7-20-9/h1-8,15H/b11-8-
InChIKeySCEHLUVXXXGUCO-FLIBITNWSA-N
MW305.24 g/mol
LogP3.23
Rot. Bonds4

About (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 17479270) has the molecular formula C15H9F2NO4 and a molecular weight of 305.24 g/mol. Its IUPAC name is (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID17479270
Molecular FormulaC15H9F2NO4
Molecular Weight305.24 g/mol
Exact Mass305.05
IUPAC Name(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1ccco1
InChIInChI=1S/C15H9F2NO4/c16-15(17)21-12-6-2-1-5-10(12)13-18-11(14(19)22-13)8-9-4-3-7-20-9/h1-8,15H/b11-8-
InChIKeySCEHLUVXXXGUCO-FLIBITNWSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.23
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

(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 9313747
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 9242100
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 9313737
(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 108935787
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 51185373
methyl 2-[(Z)-[2-[2-(difluoromethoxy)phenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 9052349
(4Z)-4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 9312987
(4E)-4-(furan-2-ylmethylidene)-2-pyridin-4-yl-1,3-oxazol-5-one
CID 108935786
ethyl 5-[(Z)-[2-[2-(difluoromethoxy)phenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9052355
(4Z)-2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6061769
2-(2-bromo-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 4298014
(4E)-2-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520824

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one (CID 17479270) is (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is O=C1OC(c2ccccc2OC(F)F)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is SCEHLUVXXXGUCO-FLIBITNWSA-N. The full InChI is InChI=1S/C15H9F2NO4/c16-15(17)21-12-6-2-1-5-10(12)13-18-11(14(19)22-13)8-9-4-3-7-20-9/h1-8,15H/b11-8-.
What are the key properties of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 305.24 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[2-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 17479270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).