6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C16H11N3O2 — CID 50949708

IUPAC6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1c1cccc(-c2cnco2)c1
InChIInChI=1S/C16H11N3O2/c20-16-13-5-2-6-18-14(13)9-19(16)12-4-1-3-11(7-12)15-8-17-10-21-15/h1-8,10H,9H2
InChIKeyJXWSLYIDZVABSU-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.90
Rot. Bonds2

About 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50949708) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50949708
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1c1cccc(-c2cnco2)c1
InChIInChI=1S/C16H11N3O2/c20-16-13-5-2-6-18-14(13)9-19(16)12-4-1-3-11(7-12)15-8-17-10-21-15/h1-8,10H,9H2
InChIKeyJXWSLYIDZVABSU-UHFFFAOYSA-N
XLogP2.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50949708) is 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1c1cccc(-c2cnco2)c1.
What is the InChIKey of 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JXWSLYIDZVABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-16-13-5-2-6-18-14(13)9-19(16)12-4-1-3-11(7-12)15-8-17-10-21-15/h1-8,10H,9H2.
What are the key properties of 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 277.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,3-oxazol-5-yl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50949708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).