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

C16H9N3O3 — CID 1119327

IUPAC3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C16H9N3O3/c20-16-12(8-10-4-1-2-6-13(10)21-16)15-19-18-14(22-15)11-5-3-7-17-9-11/h1-9H
InChIKeyOLVUGZSPHUGTKS-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.90
Rot. Bonds2

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

3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one (PubChem CID 1119327) has the molecular formula C16H9N3O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
PubChem CID1119327
Molecular FormulaC16H9N3O3
Molecular Weight291.27 g/mol
Exact Mass291.06
IUPAC Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C16H9N3O3/c20-16-12(8-10-4-1-2-6-13(10)21-16)15-19-18-14(22-15)11-5-3-7-17-9-11/h1-9H
InChIKeyOLVUGZSPHUGTKS-UHFFFAOYSA-N
XLogP2.90
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.90
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 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The IUPAC name of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one (CID 1119327) is 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1nnc(-c2cccnc2)o1.
What is the InChIKey of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
The InChIKey is OLVUGZSPHUGTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O3/c20-16-12(8-10-4-1-2-6-13(10)21-16)15-19-18-14(22-15)11-5-3-7-17-9-11/h1-9H.
What are the key properties of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one?
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one has a molecular weight of 291.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-2-one is sourced from PubChem (CID 1119327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).