6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one

C17H11N3O4 — CID 4006091

IUPAC6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3nnc(-c4ccncc4)o3)cc2c1
InChIInChI=1S/C17H11N3O4/c1-22-12-2-3-14-11(8-12)9-13(17(21)23-14)16-20-19-15(24-16)10-4-6-18-7-5-10/h2-9H,1H3
InChIKeyNJUWUKDNZWUQTI-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.91
Rot. Bonds3

About 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one

6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one (PubChem CID 4006091) has the molecular formula C17H11N3O4 and a molecular weight of 321.29 g/mol. Its IUPAC name is 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
PubChem CID4006091
Molecular FormulaC17H11N3O4
Molecular Weight321.29 g/mol
Exact Mass321.07
IUPAC Name6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3nnc(-c4ccncc4)o3)cc2c1
InChIInChI=1S/C17H11N3O4/c1-22-12-2-3-14-11(8-12)9-13(17(21)23-14)16-20-19-15(24-16)10-4-6-18-7-5-10/h2-9H,1H3
InChIKeyNJUWUKDNZWUQTI-UHFFFAOYSA-N
XLogP2.91
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The IUPAC name of 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one (CID 4006091) is 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one.
What is the SMILES notation for 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The canonical SMILES for 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one is COc1ccc2oc(=O)c(-c3nnc(-c4ccncc4)o3)cc2c1.
What is the InChIKey of 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The InChIKey is NJUWUKDNZWUQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4/c1-22-12-2-3-14-11(8-12)9-13(17(21)23-14)16-20-19-15(24-16)10-4-6-18-7-5-10/h2-9H,1H3.
What are the key properties of 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one has a molecular weight of 321.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one is sourced from PubChem (CID 4006091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).