(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one

C16H13NO3 — CID 1716445

IUPAC(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
SMILESCC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=C(O3)C
InChIInChI=1S/C16H13NO3/c1-10-3-6-12(7-4-10)15-14(16(18)20-17-15)9-13-8-5-11(2)19-13/h3-9H,1-2H3/b14-9-
InChIKeyUCAWQQVUBVYQQD-ZROIWOOFSA-N
MW267.28 g/mol
LogP3.80
Rot. Bonds2

About (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one

(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one (PubChem CID 1716445) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
PubChem CID1716445
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
SMILESCC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=C(O3)C
InChIInChI=1S/C16H13NO3/c1-10-3-6-12(7-4-10)15-14(16(18)20-17-15)9-13-8-5-11(2)19-13/h3-9H,1-2H3/b14-9-
InChIKeyUCAWQQVUBVYQQD-ZROIWOOFSA-N
XLogP3.80
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity447

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-[(5-methylfuran-2-yl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
CID 699724
(4E)-4-(furan-2-ylmethylidene)-3-phenyl-1,2-oxazol-5-one
CID 1834882
4-(2-furylmethylene)-3-phenyl-5(4H)-isoxazolone
CID 1834885
ethyl (2E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoate
CID 726341
(3Z)-5-(2-methylpropyl)-3-[(5-phenylfuran-2-yl)methylidene]furan-2(3H)-one
CID 1918570
2-Furaldehyde, 5-phenyl-, oxime
CID 5412191
4-[(5-methyl-2-furyl)methylene]-3-phenyl-5(4H)-isoxazolone
CID 699726
(4E)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 5291838
Ethyl 2-cyano-3-(5-phenylfuran-2-yl)acrylate
CID 678345
(4Z)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
CID 5801127
(4E)-2-(3,4-Dimethylphenyl)-4-[(5-methylfuran-2-YL)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 6935048
(4Z)-4-[[5-(3-chlorophenyl)-2-furanyl]methylidene]-3-methyl-5-isoxazolone
CID 9550331

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one (CID 1716445) is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one is CC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=CC=C(O3)C.
What is the InChIKey of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one?
The InChIKey is UCAWQQVUBVYQQD-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-3-6-12(7-4-10)15-14(16(18)20-17-15)9-13-8-5-11(2)19-13/h3-9H,1-2H3/b14-9-.
What are the key properties of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one?
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one has a molecular weight of 267.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one is sourced from PubChem (CID 1716445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).