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

C16H9N3O3 — CID 15471237

IUPAC3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one
SMILESO=c1c(-c2nnc(-c3cccnc3)o2)coc2ccccc12
InChIInChI=1S/C16H9N3O3/c20-14-11-5-1-2-6-13(11)21-9-12(14)16-19-18-15(22-16)10-4-3-7-17-8-10/h1-9H
InChIKeyHQXABBZYRUMSDC-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.90
Rot. Bonds2

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

3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one (PubChem CID 15471237) 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-4-one.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one
PubChem CID15471237
Molecular FormulaC16H9N3O3
Molecular Weight291.27 g/mol
Exact Mass291.06
IUPAC Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one
SMILESO=c1c(-c2nnc(-c3cccnc3)o2)coc2ccccc12
InChIInChI=1S/C16H9N3O3/c20-14-11-5-1-2-6-13(11)21-9-12(14)16-19-18-15(22-16)10-4-3-7-17-8-10/h1-9H
InChIKeyHQXABBZYRUMSDC-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

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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-4-one?
The IUPAC name of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one (CID 15471237) is 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one.
What is the SMILES notation for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one?
The canonical SMILES for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one is O=c1c(-c2nnc(-c3cccnc3)o2)coc2ccccc12.
What is the InChIKey of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one?
The InChIKey is HQXABBZYRUMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O3/c20-14-11-5-1-2-6-13(11)21-9-12(14)16-19-18-15(22-16)10-4-3-7-17-8-10/h1-9H.
What are the key properties of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-one?
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)chromen-4-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-4-one is sourced from PubChem (CID 15471237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).