(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one

C14H8BrNO4 — CID 10496906

IUPAC(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C\c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H8BrNO4/c1-7-10(14(18)20-16-7)4-8-6-19-12-3-2-9(15)5-11(12)13(8)17/h2-6H,1H3/b10-4-
InChIKeyUBBSZSMULZLXJC-WMZJFQQLSA-N
MW334.13 g/mol
LogP2.87
Rot. Bonds1

About (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one

(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one (PubChem CID 10496906) has the molecular formula C14H8BrNO4 and a molecular weight of 334.13 g/mol. Its IUPAC name is (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one
PubChem CID10496906
Molecular FormulaC14H8BrNO4
Molecular Weight334.13 g/mol
Exact Mass332.96
IUPAC Name(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C\c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C14H8BrNO4/c1-7-10(14(18)20-16-7)4-8-6-19-12-3-2-9(15)5-11(12)13(8)17/h2-6H,1H3/b10-4-
InChIKeyUBBSZSMULZLXJC-WMZJFQQLSA-N
XLogP2.87
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-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

4-[(5-bromo-1-methylindol-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 139291572
(4E)-4-[(3-bromophenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 6048164
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 10641700
(4Z)-4-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 126099457
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6040723
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
4-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
CID 5121650
6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one
CID 154714736
(4Z)-2-(3-bromophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 6512926
(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-1,2-oxazol-5-one
CID 718659
5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
CID 84710327
(4Z)-4-[(6,7-dichloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 11732090

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one (CID 10496906) is (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one is CC1=NOC(=O)/C1=C\c1coc2ccc(Br)cc2c1=O.
What is the InChIKey of (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one?
The InChIKey is UBBSZSMULZLXJC-WMZJFQQLSA-N. The full InChI is InChI=1S/C14H8BrNO4/c1-7-10(14(18)20-16-7)4-8-6-19-12-3-2-9(15)5-11(12)13(8)17/h2-6H,1H3/b10-4-.
What are the key properties of (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one?
(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one has a molecular weight of 334.13 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 10496906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).