(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one

C19H15NO4S — CID 24604452

IUPAC(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
SMILESCOc1ccc2c(c1)OCC(/C=C1\N=C(c3ccc(C)s3)OC1=O)=C2
InChIInChI=1S/C19H15NO4S/c1-11-3-6-17(25-11)18-20-15(19(21)24-18)8-12-7-13-4-5-14(22-2)9-16(13)23-10-12/h3-9H,10H2,1-2H3/b15-8-
InChIKeyOMPVJDCPOAIINH-NVNXTCNLSA-N
MW353.40 g/mol
LogP3.73
Rot. Bonds3

About (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one

(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one (PubChem CID 24604452) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
PubChem CID24604452
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
SMILESCOc1ccc2c(c1)OCC(/C=C1\N=C(c3ccc(C)s3)OC1=O)=C2
InChIInChI=1S/C19H15NO4S/c1-11-3-6-17(25-11)18-20-15(19(21)24-18)8-12-7-13-4-5-14(22-2)9-16(13)23-10-12/h3-9H,10H2,1-2H3/b15-8-
InChIKeyOMPVJDCPOAIINH-NVNXTCNLSA-N
XLogP3.73
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-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

(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 17460455
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 2687109
(4Z)-2-(5-methylthiophen-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 18074329
(4Z)-2-(5-methylthiophen-2-yl)-4-[(5-methylthiophen-2-yl)methylidene]-1,3-oxazol-5-one
CID 2687166
(5Z)-5-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17479121
(4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 18074330
(4Z)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one
CID 35865177
2-[(6-methoxy-2H-chromen-3-yl)methylidene]indene-1,3-dione
CID 3359173
(4E)-2-(5-methylthiophen-2-yl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 2687087
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 2362358
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 840009
(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
CID 70423170

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one (CID 24604452) is (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one is COc1ccc2c(c1)OCC(/C=C1\N=C(c3ccc(C)s3)OC1=O)=C2.
What is the InChIKey of (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one?
The InChIKey is OMPVJDCPOAIINH-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-11-3-6-17(25-11)18-20-15(19(21)24-18)8-12-7-13-4-5-14(22-2)9-16(13)23-10-12/h3-9H,10H2,1-2H3/b15-8-.
What are the key properties of (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one?
(4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one has a molecular weight of 353.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(7-methoxy-2H-chromen-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 24604452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).