4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one

C15H14N2O4 — CID 18166340

IUPAC4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
SMILESCc1noc(COc2ccc3c(C)cc(=O)oc3c2C)n1
InChIInChI=1S/C15H14N2O4/c1-8-6-14(18)20-15-9(2)12(5-4-11(8)15)19-7-13-16-10(3)17-21-13/h4-6H,7H2,1-3H3
InChIKeyWZYDKCLGQVMAQS-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.68
Rot. Bonds3

About 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one

4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one (PubChem CID 18166340) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
PubChem CID18166340
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
SMILESCc1noc(COc2ccc3c(C)cc(=O)oc3c2C)n1
InChIInChI=1S/C15H14N2O4/c1-8-6-14(18)20-15-9(2)12(5-4-11(8)15)19-7-13-16-10(3)17-21-13/h4-6H,7H2,1-3H3
InChIKeyWZYDKCLGQVMAQS-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'}

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Related Compounds

7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
CID 969830
4,8-dimethyl-7-[(1-phenyltetrazol-5-yl)methoxy]chromen-2-one
CID 18202513
2-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931327
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
CID 56839646
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
3-[(4,8-dimethyl-2-oxochromen-7-yl)oxymethyl]-1,2,3-benzotriazin-4-one
CID 17452608
N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057175
4-methyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]chromen-2-one
CID 43074577
7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 2299030
4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one
CID 54711766

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one?
The IUPAC name of 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one (CID 18166340) is 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one.
What is the SMILES notation for 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one?
The canonical SMILES for 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one is Cc1noc(COc2ccc3c(C)cc(=O)oc3c2C)n1.
What is the InChIKey of 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one?
The InChIKey is WZYDKCLGQVMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-6-14(18)20-15-9(2)12(5-4-11(8)15)19-7-13-16-10(3)17-21-13/h4-6H,7H2,1-3H3.
What are the key properties of 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one?
4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-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 4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one is sourced from PubChem (CID 18166340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).