7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one

C20H18N4O3 — CID 658669

IUPAC7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1
InChIInChI=1S/C20H18N4O3/c1-3-24(4-2)15-6-5-14-11-16(20(25)26-17(14)12-15)19-23-22-18(27-19)13-7-9-21-10-8-13/h5-12H,3-4H2,1-2H3
InChIKeyURQJDYDSJDZQGK-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.75
Rot. Bonds5

About 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one

7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one (PubChem CID 658669) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
PubChem CID658669
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1
InChIInChI=1S/C20H18N4O3/c1-3-24(4-2)15-6-5-14-11-16(20(25)26-17(14)12-15)19-23-22-18(27-19)13-7-9-21-10-8-13/h5-12H,3-4H2,1-2H3
InChIKeyURQJDYDSJDZQGK-UHFFFAOYSA-N
XLogP3.75
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.75
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 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one (CID 658669) is 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one is CCN(CC)c1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The InChIKey is URQJDYDSJDZQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-24(4-2)15-6-5-14-11-16(20(25)26-17(14)12-15)19-23-22-18(27-19)13-7-9-21-10-8-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one has a molecular weight of 362.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)chromen-2-one is sourced from PubChem (CID 658669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).