7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione

C18H19NO4S — CID 19938364

IUPAC7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione
SMILESCOC(C)c1cc(COc2ccc3c(C)c(C)c(=S)oc3c2)on1
InChIInChI=1S/C18H19NO4S/c1-10-11(2)18(24)22-17-8-13(5-6-15(10)17)21-9-14-7-16(19-23-14)12(3)20-4/h5-8,12H,9H2,1-4H3
InChIKeyBGXJGLFRFGTAGJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.05
Rot. Bonds5

About 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione

7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione (PubChem CID 19938364) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione.

Molecular Properties

Compound Name7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione
PubChem CID19938364
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione
SMILESCOC(C)c1cc(COc2ccc3c(C)c(C)c(=S)oc3c2)on1
InChIInChI=1S/C18H19NO4S/c1-10-11(2)18(24)22-17-8-13(5-6-15(10)17)21-9-14-7-16(19-23-14)12(3)20-4/h5-8,12H,9H2,1-4H3
InChIKeyBGXJGLFRFGTAGJ-UHFFFAOYSA-N
XLogP5.05
TPSA57.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione?
The IUPAC name of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione (CID 19938364) is 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione.
What is the SMILES notation for 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione?
The canonical SMILES for 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione is COC(C)c1cc(COc2ccc3c(C)c(C)c(=S)oc3c2)on1.
What is the InChIKey of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione?
The InChIKey is BGXJGLFRFGTAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-10-11(2)18(24)22-17-8-13(5-6-15(10)17)21-9-14-7-16(19-23-14)12(3)20-4/h5-8,12H,9H2,1-4H3.
What are the key properties of 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione?
7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione has a molecular weight of 345.42 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromene-2-thione is sourced from PubChem (CID 19938364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).