8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one

C18H12N2O4 — CID 748239

IUPAC8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc12
InChIInChI=1S/C18H12N2O4/c1-22-14-9-5-8-12-10-13(18(21)23-15(12)14)17-20-19-16(24-17)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyNZYKPRXPWLVOLJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.52
Rot. Bonds3

About 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one

8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one (PubChem CID 748239) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one
PubChem CID748239
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc12
InChIInChI=1S/C18H12N2O4/c1-22-14-9-5-8-12-10-13(18(21)23-15(12)14)17-20-19-16(24-17)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyNZYKPRXPWLVOLJ-UHFFFAOYSA-N
XLogP3.52
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.52
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 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one (CID 748239) is 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one is COc1cccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The InChIKey is NZYKPRXPWLVOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c1-22-14-9-5-8-12-10-13(18(21)23-15(12)14)17-20-19-16(24-17)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one?
8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one has a molecular weight of 320.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)chromen-2-one is sourced from PubChem (CID 748239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).