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

C19H15NO5 — CID 17470387

IUPAC(4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESCC1CC1c1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)o1
InChIInChI=1S/C19H15NO5/c1-10-6-13(10)15-5-3-12(24-15)8-14-19(21)25-18(20-14)11-2-4-16-17(7-11)23-9-22-16/h2-5,7-8,10,13H,6,9H2,1H3/b14-8-
InChIKeyXDDDYXBNCWUTMT-ZSOIEALJSA-N
MW337.33 g/mol
LogP3.48
Rot. Bonds3

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

(4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 17470387) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
PubChem CID17470387
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name(4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
SMILESCC1CC1c1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)o1
InChIInChI=1S/C19H15NO5/c1-10-6-13(10)15-5-3-12(24-15)8-14-19(21)25-18(20-14)11-2-4-16-17(7-11)23-9-22-16/h2-5,7-8,10,13H,6,9H2,1H3/b14-8-
InChIKeyXDDDYXBNCWUTMT-ZSOIEALJSA-N
XLogP3.48
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.48
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)-2-(1,3-benzodioxol-5-yl)-4-[(5-iodofuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 5285045
(4Z)-2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one
CID 7779189
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one
CID 2254285
(4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methylidene]-1,3-oxazol-5-one
CID 6087765
2-(1,3-benzodioxol-5-yl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 4207374
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 740133
2-(1,3-benzodioxol-5-yl)-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 4810515
(4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 691346
4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one
CID 4262125
2-(1,3-benzodioxol-5-yl)-4-[(3-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 590818
(4E)-2-(1,3-benzodioxol-5-yl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 754025
[2-[(E)-[2-(1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 126196397

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one (CID 17470387) is (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is CC1CC1c1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)o1.
What is the InChIKey of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
The InChIKey is XDDDYXBNCWUTMT-ZSOIEALJSA-N. The full InChI is InChI=1S/C19H15NO5/c1-10-6-13(10)15-5-3-12(24-15)8-14-19(21)25-18(20-14)11-2-4-16-17(7-11)23-9-22-16/h2-5,7-8,10,13H,6,9H2,1H3/b14-8-.
What are the key properties of (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 337.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(1,3-benzodioxol-5-yl)-4-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 17470387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).