5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole

C22H15N3O2 — CID 10043640

IUPAC5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESc1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1
InChIInChI=1S/C22H15N3O2/c1-2-6-16(7-3-1)27-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-26-21)12-25-22(18)24-11-15/h1-14H,(H,24,25)
InChIKeyHECYYXFGYYDTHC-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.68
Rot. Bonds4

About 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole

5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (PubChem CID 10043640) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
PubChem CID10043640
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESc1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1
InChIInChI=1S/C22H15N3O2/c1-2-6-16(7-3-1)27-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-26-21)12-25-22(18)24-11-15/h1-14H,(H,24,25)
InChIKeyHECYYXFGYYDTHC-UHFFFAOYSA-N
XLogP5.68
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (CID 10043640) is 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4cnco4)c3c2)cc1.
What is the InChIKey of 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The InChIKey is HECYYXFGYYDTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-2-6-16(7-3-1)27-20-9-5-4-8-17(20)15-10-18-19(21-13-23-14-26-21)12-25-22(18)24-11-15/h1-14H,(H,24,25).
What are the key properties of 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole has a molecular weight of 353.38 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is sourced from PubChem (CID 10043640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).