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

C19H15F2NO4 — CID 9242100

IUPAC(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESC[C@H]1C[C@@H]1c1ccc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)o1
InChIInChI=1S/C19H15F2NO4/c1-10-8-13(10)16-7-6-11(24-16)9-14-18(23)26-17(22-14)12-4-2-3-5-15(12)25-19(20)21/h2-7,9-10,13,19H,8H2,1H3/b14-9-/t10-,13-/m0/s1
InChIKeyXXOKLVVMAQYQNH-BCSRGLPASA-N
MW359.33 g/mol
LogP4.35
Rot. Bonds5

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

(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 9242100) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
PubChem CID9242100
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESC[C@H]1C[C@@H]1c1ccc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)o1
InChIInChI=1S/C19H15F2NO4/c1-10-8-13(10)16-7-6-11(24-16)9-14-18(23)26-17(22-14)12-4-2-3-5-15(12)25-19(20)21/h2-7,9-10,13,19H,8H2,1H3/b14-9-/t10-,13-/m0/s1
InChIKeyXXOKLVVMAQYQNH-BCSRGLPASA-N
XLogP4.35
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.35
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-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 17479270
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 9313747
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 51185373
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 9313737
methyl 2-[(Z)-[2-[2-(difluoromethoxy)phenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 9052349
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 17470387
(4Z)-4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 9312987
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-fluorophenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 740485
(4E)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-(2-iodophenyl)-1,3-oxazol-5-one
CID 2454378
(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 916385
4-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 3617505

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one (CID 9242100) is (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one is C[C@H]1C[C@@H]1c1ccc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)o1.
What is the InChIKey of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
The InChIKey is XXOKLVVMAQYQNH-BCSRGLPASA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-10-8-13(10)16-7-6-11(24-16)9-14-18(23)26-17(22-14)12-4-2-3-5-15(12)25-19(20)21/h2-7,9-10,13,19H,8H2,1H3/b14-9-/t10-,13-/m0/s1.
What are the key properties of (4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 359.33 g/mol, XLogP of 4.35, 5 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-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 9242100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).