methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate

C19H16N2O6 — CID 24561663

IUPACmethyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)oc1C
InChIInChI=1S/C19H16N2O6/c1-10-15(18(23)25-3)8-14(26-10)9-16-19(24)27-17(21-16)12-4-6-13(7-5-12)20-11(2)22/h4-9H,1-3H3,(H,20,22)/b16-9-
InChIKeyOMZXXZWUCKIQCF-SXGWCWSVSA-N
MW368.35 g/mol
LogP2.68
Rot. Bonds4

About methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate

methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate (PubChem CID 24561663) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate
PubChem CID24561663
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Namemethyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)oc1C
InChIInChI=1S/C19H16N2O6/c1-10-15(18(23)25-3)8-14(26-10)9-16-19(24)27-17(21-16)12-4-6-13(7-5-12)20-11(2)22/h4-9H,1-3H3,(H,20,22)/b16-9-
InChIKeyOMZXXZWUCKIQCF-SXGWCWSVSA-N
XLogP2.68
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-3-carboxylate
CID 17453114
N-[4-[(4E)-4-[(5-chlorofuran-2-yl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 75407189
N-[4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
CID 8892407
5-[5-[(E)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 39345852
N-[4-[(Z)-[2-(3,4-dimethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]acetamide
CID 8892406
N-[4-[(4Z)-4-[(3-fluorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 24508818
N-[4-[(4Z)-4-[(3-bromophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666183
ethyl 2-[4-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2,6-diiodophenoxy]acetate
CID 19666593
N-[4-[(4Z)-4-[(2-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 19666167
N-[4-[(4Z)-5-oxo-4-(thiophen-2-ylmethylidene)-1,3-oxazol-2-yl]phenyl]acetamide
CID 5390661
N-[4-[4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
CID 2731619
[4-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2,6-dibromophenyl] 4-methylbenzoate
CID 19666647

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate (CID 24561663) is methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)oc1C.
What is the InChIKey of methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is OMZXXZWUCKIQCF-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-10-15(18(23)25-3)8-14(26-10)9-16-19(24)27-17(21-16)12-4-6-13(7-5-12)20-11(2)22/h4-9H,1-3H3,(H,20,22)/b16-9-.
What are the key properties of methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 368.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(Z)-[2-(4-acetamidophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 24561663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).