1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone

C18H13N3O2 — CID 59811903

IUPAC1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C18H13N3O2/c1-11(22)13-4-2-3-5-14(13)12-6-15-16(17-9-19-10-23-17)8-21-18(15)20-7-12/h2-10H,1H3,(H,20,21)
InChIKeyJUQJYPACQBOZRG-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.09
Rot. Bonds3

About 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone

1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone (PubChem CID 59811903) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone
PubChem CID59811903
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C18H13N3O2/c1-11(22)13-4-2-3-5-14(13)12-6-15-16(17-9-19-10-23-17)8-21-18(15)20-7-12/h2-10H,1H3,(H,20,21)
InChIKeyJUQJYPACQBOZRG-UHFFFAOYSA-N
XLogP4.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone (CID 59811903) is 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.
What is the InChIKey of 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone?
The InChIKey is JUQJYPACQBOZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11(22)13-4-2-3-5-14(13)12-6-15-16(17-9-19-10-23-17)8-21-18(15)20-7-12/h2-10H,1H3,(H,20,21).
What are the key properties of 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone?
1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone has a molecular weight of 303.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 59811903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).