(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

C17H9F2N3O2 — CID 141301533

IUPAC(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3cnco3)cc12
InChIInChI=1S/C17H9F2N3O2/c18-12-2-1-3-13(19)15(12)16(23)11-6-22-17-10(11)4-9(5-21-17)14-7-20-8-24-14/h1-8H,(H,21,22)
InChIKeyZGMNSTDONCXVME-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.73
Rot. Bonds3

About (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 141301533) has the molecular formula C17H9F2N3O2 and a molecular weight of 325.27 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID141301533
Molecular FormulaC17H9F2N3O2
Molecular Weight325.27 g/mol
Exact Mass325.07
IUPAC Name(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESO=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3cnco3)cc12
InChIInChI=1S/C17H9F2N3O2/c18-12-2-1-3-13(19)15(12)16(23)11-6-22-17-10(11)4-9(5-21-17)14-7-20-8-24-14/h1-8H,(H,21,22)
InChIKeyZGMNSTDONCXVME-UHFFFAOYSA-N
XLogP3.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 141301533) is (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is O=C(c1c(F)cccc1F)c1c[nH]c2ncc(-c3cnco3)cc12.
What is the InChIKey of (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is ZGMNSTDONCXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O2/c18-12-2-1-3-13(19)15(12)16(23)11-6-22-17-10(11)4-9(5-21-17)14-7-20-8-24-14/h1-8H,(H,21,22).
What are the key properties of (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 325.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 141301533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).