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

C15H14N2O4 — CID 15066874

IUPAC3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one
SMILESCc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
InChIInChI=1S/C15H14N2O4/c1-8-9(2)15(18)21-13-6-11(4-5-12(8)13)19-7-14-17-16-10(3)20-14/h4-6H,7H2,1-3H3
InChIKeyHAZCKGIPEIZFCN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.68
Rot. Bonds3

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

3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one (PubChem CID 15066874) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one
PubChem CID15066874
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one
SMILESCc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
InChIInChI=1S/C15H14N2O4/c1-8-9(2)15(18)21-13-6-11(4-5-12(8)13)19-7-14-17-16-10(3)20-14/h4-6H,7H2,1-3H3
InChIKeyHAZCKGIPEIZFCN-UHFFFAOYSA-N
XLogP2.68
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one 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 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one?
The IUPAC name of 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one (CID 15066874) is 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one.
What is the SMILES notation for 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one?
The canonical SMILES for 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one is Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1.
What is the InChIKey of 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one?
The InChIKey is HAZCKGIPEIZFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-9(2)15(18)21-13-6-11(4-5-12(8)13)19-7-14-17-16-10(3)20-14/h4-6H,7H2,1-3H3.
What are the key properties of 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one?
3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one has a molecular weight of 286.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one is sourced from PubChem (CID 15066874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).