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

C18H13N3O — CID 59812030

IUPAC5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESC=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C18H13N3O/c1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13/h2-11H,1H2,(H,20,21)
InChIKeyKVZSCKGJPSYIFQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.53
Rot. Bonds3

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

5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (PubChem CID 59812030) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
PubChem CID59812030
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESC=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C18H13N3O/c1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13/h2-11H,1H2,(H,20,21)
InChIKeyKVZSCKGJPSYIFQ-UHFFFAOYSA-N
XLogP4.53
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (CID 59812030) is 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is C=Cc1ccccc1-c1cnc2[nH]cc(-c3cnco3)c2c1.
What is the InChIKey of 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The InChIKey is KVZSCKGJPSYIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-12-5-3-4-6-14(12)13-7-15-16(17-10-19-11-22-17)9-21-18(15)20-8-13/h2-11H,1H2,(H,20,21).
What are the key properties of 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole has a molecular weight of 287.32 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is sourced from PubChem (CID 59812030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).