5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one

C15H14N2O4 — CID 19751455

IUPAC5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one
SMILESCOc1cc(-c2nc(C)no2)cc2oc(=O)c(C)c(C)c12
InChIInChI=1S/C15H14N2O4/c1-7-8(2)15(18)20-12-6-10(5-11(19-4)13(7)12)14-16-9(3)17-21-14/h5-6H,1-4H3
InChIKeyZEKHCYSYHZFWIA-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.78
Rot. Bonds2

About 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one

5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one (PubChem CID 19751455) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one.

Molecular Properties

Compound Name5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one
PubChem CID19751455
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one
SMILESCOc1cc(-c2nc(C)no2)cc2oc(=O)c(C)c(C)c12
InChIInChI=1S/C15H14N2O4/c1-7-8(2)15(18)20-12-6-10(5-11(19-4)13(7)12)14-16-9(3)17-21-14/h5-6H,1-4H3
InChIKeyZEKHCYSYHZFWIA-UHFFFAOYSA-N
XLogP2.78
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
The IUPAC name of 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one (CID 19751455) is 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one.
What is the SMILES notation for 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
The canonical SMILES for 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one is COc1cc(-c2nc(C)no2)cc2oc(=O)c(C)c(C)c12.
What is the InChIKey of 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
The InChIKey is ZEKHCYSYHZFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-7-8(2)15(18)20-12-6-10(5-11(19-4)13(7)12)14-16-9(3)17-21-14/h5-6H,1-4H3.
What are the key properties of 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one?
5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one has a molecular weight of 286.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dimethyl-7-(3-methyl-1,2,4-oxadiazol-5-yl)chromen-2-one is sourced from PubChem (CID 19751455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).