7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one

C16H16N2O4 — CID 15066880

IUPAC7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one
SMILESCCc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
InChIInChI=1S/C16H16N2O4/c1-4-14-17-18-15(22-14)8-20-11-5-6-12-9(2)10(3)16(19)21-13(12)7-11/h5-7H,4,8H2,1-3H3
InChIKeyPGAVTNZEUUPMET-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.93
Rot. Bonds4

About 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one

7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one (PubChem CID 15066880) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one
PubChem CID15066880
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one
SMILESCCc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
InChIInChI=1S/C16H16N2O4/c1-4-14-17-18-15(22-14)8-20-11-5-6-12-9(2)10(3)16(19)21-13(12)7-11/h5-7H,4,8H2,1-3H3
InChIKeyPGAVTNZEUUPMET-UHFFFAOYSA-N
XLogP2.93
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.93
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 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one (CID 15066880) is 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one is CCc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1.
What is the InChIKey of 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one?
The InChIKey is PGAVTNZEUUPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-4-14-17-18-15(22-14)8-20-11-5-6-12-9(2)10(3)16(19)21-13(12)7-11/h5-7H,4,8H2,1-3H3.
What are the key properties of 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one?
7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one has a molecular weight of 300.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 15066880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).